Entering Gaussian System, Link 0=g09 Initial command: /software/gaussian/g09/ivybridge_xe2015/g09/l1.exe /scratch_gs/schottve/g09/Gau-23409.inp -scrdir=/scratch_gs/schottve/g09/ Entering Link 1 = /software/gaussian/g09/ivybridge_xe2015/g09/l1.exe PID= 23410. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 09, Revision A.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009. ****************************************** Gaussian 09: EM64L-G09RevA.02 11-Jun-2009 15-Sep-2020 ****************************************** %chk=molecule %nproc=8 Will use up to 8 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,16=1,25=1,30=1,71=1/1,2,3; 4/5=5,16=3/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 1 Multiplicity = 1 C -5.131 3.3429 0.9965 C -3.9723 2.3334 1.1192 H -4.7862 4.3199 0.6043 H -5.5524 3.5316 2.0064 H -5.9474 2.9665 0.3504 N -3.3282 1.9284 -0.1776 H -4.3564 1.442 1.6556 H -3.2224 2.7789 1.8079 C -2.8577 3.1382 -0.9477 C -1.8706 4.0757 -0.2227 H -3.7191 3.7666 -1.2627 H -2.3675 2.8174 -1.8963 H -2.3121 4.5114 0.6953 H -1.6195 4.9201 -0.8988 H -0.9172 3.5694 0.025 C -2.1031 1.0963 0.1075 C -2.3153 -0.3131 0.6701 H -1.4603 1.6149 0.851 H -1.4943 0.9675 -0.817 H -2.9091 -0.3026 1.606 H -1.3238 -0.7544 0.907 H -2.7615 -0.9805 -0.0912 C -4.2885 1.2074 -1.094 C -5.29 0.21 -0.4602 H -3.7203 0.6833 -1.8956 H -4.9483 1.9389 -1.6144 H -4.834 -0.6319 0.0801 H -5.9102 -0.2278 -1.2708 H -5.9912 0.7099 0.2351 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5417 estimate D2E/DX2 ! ! R2 R(1,3) 1.1078 estimate D2E/DX2 ! ! R3 R(1,4) 1.1104 estimate D2E/DX2 ! ! R4 R(1,5) 1.1071 estimate D2E/DX2 ! ! R5 R(2,6) 1.5035 estimate D2E/DX2 ! ! R6 R(2,7) 1.109 estimate D2E/DX2 ! ! R7 R(2,8) 1.1114 estimate D2E/DX2 ! ! R8 R(6,9) 1.5093 estimate D2E/DX2 ! ! R9 R(6,16) 1.5082 estimate D2E/DX2 ! ! R10 R(6,23) 1.5106 estimate D2E/DX2 ! ! R11 R(9,10) 1.5424 estimate D2E/DX2 ! ! R12 R(9,11) 1.1118 estimate D2E/DX2 ! ! R13 R(9,12) 1.1149 estimate D2E/DX2 ! ! R14 R(10,13) 1.1079 estimate D2E/DX2 ! ! R15 R(10,14) 1.1105 estimate D2E/DX2 ! ! R16 R(10,15) 1.1075 estimate D2E/DX2 ! ! R17 R(16,17) 1.5323 estimate D2E/DX2 ! ! R18 R(16,18) 1.1113 estimate D2E/DX2 ! ! R19 R(16,19) 1.1144 estimate D2E/DX2 ! ! R20 R(17,20) 1.1084 estimate D2E/DX2 ! ! R21 R(17,21) 1.1108 estimate D2E/DX2 ! ! R22 R(17,22) 1.1064 estimate D2E/DX2 ! ! R23 R(23,24) 1.549 estimate D2E/DX2 ! ! R24 R(23,25) 1.1136 estimate D2E/DX2 ! ! R25 R(23,26) 1.1141 estimate D2E/DX2 ! ! R26 R(24,27) 1.0994 estimate D2E/DX2 ! ! R27 R(24,28) 1.1106 estimate D2E/DX2 ! ! R28 R(24,29) 1.1068 estimate D2E/DX2 ! ! A1 A(2,1,3) 111.823 estimate D2E/DX2 ! ! A2 A(2,1,4) 108.9117 estimate D2E/DX2 ! ! A3 A(2,1,5) 112.2139 estimate D2E/DX2 ! ! A4 A(3,1,4) 106.8714 estimate D2E/DX2 ! ! A5 A(3,1,5) 108.8296 estimate D2E/DX2 ! ! A6 A(4,1,5) 107.9805 estimate D2E/DX2 ! ! A7 A(1,2,6) 115.4495 estimate D2E/DX2 ! ! A8 A(1,2,7) 107.7291 estimate D2E/DX2 ! ! A9 A(1,2,8) 107.096 estimate D2E/DX2 ! ! A10 A(6,2,7) 110.4286 estimate D2E/DX2 ! ! A11 A(6,2,8) 110.6956 estimate D2E/DX2 ! ! A12 A(7,2,8) 104.8434 estimate D2E/DX2 ! ! A13 A(2,6,9) 110.9595 estimate D2E/DX2 ! ! A14 A(2,6,16) 109.4851 estimate D2E/DX2 ! ! A15 A(2,6,23) 112.3015 estimate D2E/DX2 ! ! A16 A(9,6,16) 106.5872 estimate D2E/DX2 ! ! A17 A(9,6,23) 105.7371 estimate D2E/DX2 ! ! A18 A(16,6,23) 111.5766 estimate D2E/DX2 ! ! A19 A(6,9,10) 116.5435 estimate D2E/DX2 ! ! A20 A(6,9,11) 110.8597 estimate D2E/DX2 ! ! A21 A(6,9,12) 109.9098 estimate D2E/DX2 ! ! A22 A(10,9,11) 106.5872 estimate D2E/DX2 ! ! A23 A(10,9,12) 107.0641 estimate D2E/DX2 ! ! A24 A(11,9,12) 105.2017 estimate D2E/DX2 ! ! A25 A(9,10,13) 111.9306 estimate D2E/DX2 ! ! A26 A(9,10,14) 108.7062 estimate D2E/DX2 ! ! A27 A(9,10,15) 112.2211 estimate D2E/DX2 ! ! A28 A(13,10,14) 107.1902 estimate D2E/DX2 ! ! A29 A(13,10,15) 109.7244 estimate D2E/DX2 ! ! A30 A(14,10,15) 106.8052 estimate D2E/DX2 ! ! A31 A(6,16,17) 117.671 estimate D2E/DX2 ! ! A32 A(6,16,18) 109.8081 estimate D2E/DX2 ! ! A33 A(6,16,19) 110.5306 estimate D2E/DX2 ! ! A34 A(17,16,18) 105.2895 estimate D2E/DX2 ! ! A35 A(17,16,19) 105.8986 estimate D2E/DX2 ! ! A36 A(18,16,19) 107.036 estimate D2E/DX2 ! ! A37 A(16,17,20) 112.0543 estimate D2E/DX2 ! ! A38 A(16,17,21) 108.669 estimate D2E/DX2 ! ! A39 A(16,17,22) 110.9805 estimate D2E/DX2 ! ! A40 A(20,17,21) 107.5693 estimate D2E/DX2 ! ! A41 A(20,17,22) 111.756 estimate D2E/DX2 ! ! A42 A(21,17,22) 105.4902 estimate D2E/DX2 ! ! A43 A(6,23,24) 118.0423 estimate D2E/DX2 ! ! A44 A(6,23,25) 109.6918 estimate D2E/DX2 ! ! A45 A(6,23,26) 110.2716 estimate D2E/DX2 ! ! A46 A(24,23,25) 108.746 estimate D2E/DX2 ! ! A47 A(24,23,26) 103.3552 estimate D2E/DX2 ! ! A48 A(25,23,26) 105.9592 estimate D2E/DX2 ! ! A49 A(23,24,27) 115.2138 estimate D2E/DX2 ! ! A50 A(23,24,28) 108.4356 estimate D2E/DX2 ! ! A51 A(23,24,29) 112.0748 estimate D2E/DX2 ! ! A52 A(27,24,28) 106.7656 estimate D2E/DX2 ! ! A53 A(27,24,29) 107.4526 estimate D2E/DX2 ! ! A54 A(28,24,29) 106.4257 estimate D2E/DX2 ! ! D1 D(3,1,2,6) -64.5004 estimate D2E/DX2 ! ! D2 D(3,1,2,7) 171.5844 estimate D2E/DX2 ! ! D3 D(3,1,2,8) 59.2684 estimate D2E/DX2 ! ! D4 D(4,1,2,6) 177.6172 estimate D2E/DX2 ! ! D5 D(4,1,2,7) 53.7019 estimate D2E/DX2 ! ! D6 D(4,1,2,8) -58.614 estimate D2E/DX2 ! ! D7 D(5,1,2,6) 58.1201 estimate D2E/DX2 ! ! D8 D(5,1,2,7) -65.7951 estimate D2E/DX2 ! ! D9 D(5,1,2,8) -178.1111 estimate D2E/DX2 ! ! D10 D(1,2,6,9) 54.8967 estimate D2E/DX2 ! ! D11 D(1,2,6,16) 172.2713 estimate D2E/DX2 ! ! D12 D(1,2,6,23) -63.2049 estimate D2E/DX2 ! ! D13 D(7,2,6,9) 177.385 estimate D2E/DX2 ! ! D14 D(7,2,6,16) -65.2403 estimate D2E/DX2 ! ! D15 D(7,2,6,23) 59.2835 estimate D2E/DX2 ! ! D16 D(8,2,6,9) -66.9607 estimate D2E/DX2 ! ! D17 D(8,2,6,16) 50.4139 estimate D2E/DX2 ! ! D18 D(8,2,6,23) 174.9377 estimate D2E/DX2 ! ! D19 D(2,6,9,10) 57.0124 estimate D2E/DX2 ! ! D20 D(2,6,9,11) -65.1177 estimate D2E/DX2 ! ! D21 D(2,6,9,12) 179.0038 estimate D2E/DX2 ! ! D22 D(16,6,9,10) -62.1185 estimate D2E/DX2 ! ! D23 D(16,6,9,11) 175.7514 estimate D2E/DX2 ! ! D24 D(16,6,9,12) 59.8729 estimate D2E/DX2 ! ! D25 D(23,6,9,10) 179.0268 estimate D2E/DX2 ! ! D26 D(23,6,9,11) 56.8967 estimate D2E/DX2 ! ! D27 D(23,6,9,12) -58.9818 estimate D2E/DX2 ! ! D28 D(2,6,16,17) 70.1758 estimate D2E/DX2 ! ! D29 D(2,6,16,18) -50.1782 estimate D2E/DX2 ! ! D30 D(2,6,16,19) -168.044 estimate D2E/DX2 ! ! D31 D(9,6,16,17) -169.7375 estimate D2E/DX2 ! ! D32 D(9,6,16,18) 69.9085 estimate D2E/DX2 ! ! D33 D(9,6,16,19) -47.9573 estimate D2E/DX2 ! ! D34 D(23,6,16,17) -54.7691 estimate D2E/DX2 ! ! D35 D(23,6,16,18) -175.1231 estimate D2E/DX2 ! ! D36 D(23,6,16,19) 67.0111 estimate D2E/DX2 ! ! D37 D(2,6,23,24) -38.9744 estimate D2E/DX2 ! ! D38 D(2,6,23,25) -164.2402 estimate D2E/DX2 ! ! D39 D(2,6,23,26) 79.4325 estimate D2E/DX2 ! ! D40 D(9,6,23,24) -160.1231 estimate D2E/DX2 ! ! D41 D(9,6,23,25) 74.611 estimate D2E/DX2 ! ! D42 D(9,6,23,26) -41.7163 estimate D2E/DX2 ! ! D43 D(16,6,23,24) 84.3856 estimate D2E/DX2 ! ! D44 D(16,6,23,25) -40.8802 estimate D2E/DX2 ! ! D45 D(16,6,23,26) -157.2076 estimate D2E/DX2 ! ! D46 D(6,9,10,13) -61.2879 estimate D2E/DX2 ! ! D47 D(6,9,10,14) -179.4972 estimate D2E/DX2 ! ! D48 D(6,9,10,15) 62.5945 estimate D2E/DX2 ! ! D49 D(11,9,10,13) 63.053 estimate D2E/DX2 ! ! D50 D(11,9,10,14) -55.1564 estimate D2E/DX2 ! ! D51 D(11,9,10,15) -173.0647 estimate D2E/DX2 ! ! D52 D(12,9,10,13) 175.2403 estimate D2E/DX2 ! ! D53 D(12,9,10,14) 57.0309 estimate D2E/DX2 ! ! D54 D(12,9,10,15) -60.8774 estimate D2E/DX2 ! ! D55 D(6,16,17,20) -56.3234 estimate D2E/DX2 ! ! D56 D(6,16,17,21) -175.0521 estimate D2E/DX2 ! ! D57 D(6,16,17,22) 69.3857 estimate D2E/DX2 ! ! D58 D(18,16,17,20) 66.3615 estimate D2E/DX2 ! ! D59 D(18,16,17,21) -52.3672 estimate D2E/DX2 ! ! D60 D(18,16,17,22) -167.9294 estimate D2E/DX2 ! ! D61 D(19,16,17,20) 179.5445 estimate D2E/DX2 ! ! D62 D(19,16,17,21) 60.8158 estimate D2E/DX2 ! ! D63 D(19,16,17,22) -54.7464 estimate D2E/DX2 ! ! D64 D(6,23,24,27) -60.221 estimate D2E/DX2 ! ! D65 D(6,23,24,28) -179.7616 estimate D2E/DX2 ! ! D66 D(6,23,24,29) 63.0554 estimate D2E/DX2 ! ! D67 D(25,23,24,27) 65.5071 estimate D2E/DX2 ! ! D68 D(25,23,24,28) -54.0335 estimate D2E/DX2 ! ! D69 D(25,23,24,29) -171.2165 estimate D2E/DX2 ! ! D70 D(26,23,24,27) 177.7786 estimate D2E/DX2 ! ! D71 D(26,23,24,28) 58.238 estimate D2E/DX2 ! ! D72 D(26,23,24,29) -58.945 estimate D2E/DX2 ! -------------------------------------------------------------------------------- Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 Number of steps in this run= 164 maximum allowed number of steps= 174. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.131000 3.342900 0.996500 2 6 0 -3.972300 2.333400 1.119200 3 1 0 -4.786200 4.319900 0.604300 4 1 0 -5.552400 3.531600 2.006400 5 1 0 -5.947400 2.966500 0.350400 6 7 0 -3.328200 1.928400 -0.177600 7 1 0 -4.356400 1.442000 1.655600 8 1 0 -3.222400 2.778900 1.807900 9 6 0 -2.857700 3.138200 -0.947700 10 6 0 -1.870600 4.075700 -0.222700 11 1 0 -3.719100 3.766600 -1.262700 12 1 0 -2.367500 2.817400 -1.896300 13 1 0 -2.312100 4.511400 0.695300 14 1 0 -1.619500 4.920100 -0.898800 15 1 0 -0.917200 3.569400 0.025000 16 6 0 -2.103100 1.096300 0.107500 17 6 0 -2.315300 -0.313100 0.670100 18 1 0 -1.460300 1.614900 0.851000 19 1 0 -1.494300 0.967500 -0.817000 20 1 0 -2.909100 -0.302600 1.606000 21 1 0 -1.323800 -0.754400 0.907000 22 1 0 -2.761500 -0.980500 -0.091200 23 6 0 -4.288500 1.207400 -1.094000 24 6 0 -5.290000 0.210000 -0.460200 25 1 0 -3.720300 0.683300 -1.895600 26 1 0 -4.948300 1.938900 -1.614400 27 1 0 -4.834000 -0.631900 0.080100 28 1 0 -5.910200 -0.227800 -1.270800 29 1 0 -5.991200 0.709900 0.235100 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.541665 0.000000 3 H 1.107807 2.207654 0.000000 4 H 1.110443 2.172446 1.781674 0.000000 5 H 1.107082 2.211988 1.801261 1.793795 0.000000 6 N 2.574764 1.503523 2.907990 3.505306 2.866469 7 H 2.155885 1.108987 3.093908 2.433085 2.561040 8 H 2.149237 1.111363 2.503758 2.456595 3.095985 9 C 2.998284 2.482360 2.743033 4.017820 3.355710 10 C 3.557197 3.041948 3.040442 4.338270 4.263692 11 H 2.697586 2.791347 2.220480 3.755427 2.864886 12 H 4.035019 3.450055 3.789540 5.087704 4.229134 13 H 3.066319 2.771216 2.483168 3.630225 3.964981 14 H 4.290729 4.037203 3.556338 5.082895 4.909967 15 H 4.330268 3.472550 3.983466 5.041077 5.076641 16 C 3.873721 2.459240 4.223439 4.629706 4.281973 17 C 4.626126 3.154568 5.251130 5.200599 4.904094 18 H 4.059704 2.626465 4.294124 4.664115 4.712907 19 H 4.707111 3.428562 4.908695 5.569055 5.018857 20 H 4.312540 2.883724 5.088655 4.674232 4.636250 21 H 5.593805 4.073584 6.150477 6.120419 5.960921 22 H 5.048704 3.730018 5.716412 5.705094 5.091540 23 C 3.104892 2.503220 3.580445 4.075761 2.816500 24 C 3.458658 2.956292 4.275307 4.145600 2.947463 25 H 4.174660 3.446063 4.539879 5.166721 3.900960 26 H 2.970083 2.929296 3.258538 4.001478 2.431995 27 H 4.089870 3.258107 4.979698 4.643432 3.776401 28 H 4.300895 4.003411 5.045885 5.000115 3.582349 29 H 2.872693 2.737397 3.823668 3.360363 2.259968 6 7 8 9 10 6 N 0.000000 7 H 2.157406 0.000000 8 H 2.162580 1.759674 0.000000 9 C 1.509318 3.449691 2.802755 0.000000 10 C 2.595675 4.079655 2.762678 1.542368 0.000000 11 H 2.170075 3.785022 3.263563 1.111810 2.143384 12 H 2.160369 4.296911 3.801767 1.114922 2.152014 13 H 2.909691 3.810847 2.251240 2.209707 1.107917 14 H 3.519951 5.110065 3.805292 2.170414 1.110484 15 H 2.923499 4.360365 3.019531 2.213056 1.107550 16 C 1.508159 2.755628 2.641086 2.419137 3.006645 17 C 2.601708 2.866649 3.417292 3.850058 4.500713 18 H 2.155308 3.010759 2.318523 2.740163 2.716011 19 H 2.166876 3.811892 3.627341 2.566687 3.186801 20 H 2.886907 2.267326 3.103959 4.285222 4.857174 21 H 3.520141 3.818539 4.111023 4.576581 4.990499 22 H 2.964846 3.385782 4.236992 4.207914 5.135772 23 C 1.510565 2.760425 3.468026 2.407609 3.851305 24 C 2.623246 2.620313 4.002311 3.837720 5.166463 25 H 2.157670 3.686634 4.284315 2.769319 4.210506 26 H 2.165463 3.360083 3.923833 2.500683 3.996871 27 H 2.981439 2.647898 4.149229 4.379017 5.570900 28 H 3.537090 3.710302 5.073747 4.555448 5.994747 29 H 2.957471 2.286124 3.797462 4.136965 5.340181 11 12 13 14 15 11 H 0.000000 12 H 1.768969 0.000000 13 H 2.523517 3.096627 0.000000 14 H 2.423078 2.444557 1.785465 0.000000 15 H 3.089936 2.521957 1.811743 1.780736 0.000000 16 C 3.408725 2.654676 3.471613 3.983460 2.743973 17 C 4.727613 4.048353 4.824567 5.507447 4.176679 18 H 3.768251 3.133157 3.023164 3.743193 2.190275 19 H 3.603241 2.312898 3.938918 3.955428 2.794976 20 H 5.044197 4.721635 4.935624 5.934112 4.632452 21 H 5.557383 4.658922 5.361922 5.962240 4.431534 22 H 4.982406 4.223466 5.566104 6.064113 4.910859 23 C 2.627200 2.631734 4.245488 4.576659 4.265779 24 C 3.970030 4.171561 5.357715 5.987485 5.535555 25 H 3.147587 2.526747 4.832198 4.832954 4.458211 26 H 2.230496 2.740759 4.347645 4.525544 4.647142 27 H 4.732115 4.678402 5.761249 6.489681 5.744152 28 H 4.555899 4.713302 6.266729 6.711882 6.405300 29 H 4.092586 4.702725 5.310270 6.174405 5.828066 16 17 18 19 20 16 C 0.000000 17 C 1.532304 0.000000 18 H 1.111274 2.116822 0.000000 19 H 1.114418 2.127309 1.789555 0.000000 20 H 2.202739 1.108430 2.519098 3.079893 0.000000 21 H 2.161388 1.110828 2.373889 2.442578 1.790503 22 H 2.187709 1.106388 3.052370 2.434602 1.833527 23 C 2.496381 3.052456 3.456558 2.818126 3.387159 24 C 3.356210 3.224911 4.284809 3.886959 3.193842 25 H 2.607358 3.090252 3.676859 2.489824 3.727096 26 H 3.430755 4.150076 4.283610 3.675538 4.421949 27 H 3.231910 2.606450 4.126045 3.810048 2.478316 28 H 4.259925 4.086279 5.263002 4.597265 4.157905 29 H 3.909336 3.840312 4.661267 4.625514 3.521912 21 22 23 24 25 21 H 0.000000 22 H 1.764796 0.000000 23 C 4.079474 2.850306 0.000000 24 C 4.304654 2.819000 1.549036 0.000000 25 H 3.957873 2.635031 1.113595 2.179070 0.000000 26 H 5.171878 3.952863 1.114112 2.106664 1.778648 27 H 3.608362 2.108583 2.249246 1.099389 2.621730 28 H 5.104428 3.445624 2.172779 1.110581 2.452782 29 H 4.937636 3.659902 2.216574 1.106808 3.114093 26 27 28 29 26 H 0.000000 27 H 3.081137 0.000000 28 H 2.395392 1.773819 0.000000 29 H 2.453310 1.778641 1.775831 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.840812 2.102200 -0.842149 2 6 0 -0.259973 0.691279 -1.062738 3 1 0 -1.876428 2.064624 -0.450582 4 1 0 -0.884228 2.630166 -1.818085 5 1 0 -0.220176 2.707372 -0.153520 6 7 0 -0.083534 -0.136343 0.180037 7 1 0 0.707190 0.803442 -1.593649 8 1 0 -0.924558 0.174087 -1.787974 9 6 0 -1.379705 -0.243497 0.945869 10 6 0 -2.586577 -0.823587 0.180459 11 1 0 -1.695758 0.750711 1.330295 12 1 0 -1.233567 -0.874789 1.853153 13 1 0 -2.857158 -0.203343 -0.696789 14 1 0 -3.466150 -0.834909 0.858248 15 1 0 -2.415735 -1.869923 -0.139949 16 6 0 0.307806 -1.541640 -0.202762 17 6 0 1.709615 -1.756925 -0.782882 18 1 0 -0.391407 -1.930395 -0.974061 19 1 0 0.233898 -2.221377 0.677251 20 1 0 1.890619 -1.128696 -1.677970 21 1 0 1.806644 -2.819025 -1.093476 22 1 0 2.486140 -1.602968 -0.009965 23 6 0 0.909980 0.475088 1.139665 24 6 0 2.176851 1.142690 0.549024 25 1 0 1.223166 -0.285284 1.890560 26 1 0 0.431421 1.298091 1.718364 27 1 0 2.825720 0.477890 -0.038910 28 1 0 2.792362 1.531544 1.387671 29 1 0 1.929646 2.013542 -0.087787 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7053798 1.3400641 1.0262703 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 537.0523245905 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state of the initial guess is 1-A. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.798422368 A.U. after 12 cycles Convg = 0.5150D-08 -V/T = 2.0029 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -15.86302 -11.44988 -11.44721 -11.44709 -11.44699 Alpha occ. eigenvalues -- -11.38307 -11.38125 -11.38034 -11.37900 -1.49278 Alpha occ. eigenvalues -- -1.20687 -1.20441 -1.19575 -1.13998 -1.05391 Alpha occ. eigenvalues -- -1.02174 -1.00558 -0.94204 -0.87203 -0.85248 Alpha occ. eigenvalues -- -0.82086 -0.79638 -0.76385 -0.74697 -0.73578 Alpha occ. eigenvalues -- -0.71770 -0.70476 -0.69118 -0.68941 -0.68099 Alpha occ. eigenvalues -- -0.66908 -0.66176 -0.65654 -0.65051 -0.64716 Alpha occ. eigenvalues -- -0.64170 -0.63245 Alpha virt. eigenvalues -- 0.04854 0.07729 0.08639 0.09183 0.10418 Alpha virt. eigenvalues -- 0.10945 0.11231 0.13606 0.14226 0.14836 Alpha virt. eigenvalues -- 0.15450 0.16238 0.17117 0.17661 0.18356 Alpha virt. eigenvalues -- 0.18768 0.19726 0.20093 0.21030 0.21512 Alpha virt. eigenvalues -- 0.23707 0.24030 0.24710 0.25359 0.26785 Alpha virt. eigenvalues -- 0.28131 0.28733 0.31411 0.51272 0.51872 Alpha virt. eigenvalues -- 0.52633 0.55428 0.55790 0.60105 0.62278 Alpha virt. eigenvalues -- 0.62694 0.65802 0.67186 0.69776 0.71635 Alpha virt. eigenvalues -- 0.72805 0.74329 0.74887 0.77299 0.78993 Alpha virt. eigenvalues -- 0.80279 0.83554 0.84993 0.86536 0.90322 Alpha virt. eigenvalues -- 0.94096 0.94543 0.96337 0.98201 0.99268 Alpha virt. eigenvalues -- 0.99496 1.00035 1.00719 1.01272 1.01355 Alpha virt. eigenvalues -- 1.01674 1.02796 1.04624 1.05741 1.07100 Alpha virt. eigenvalues -- 1.08492 1.09382 1.09602 1.10670 1.11464 Alpha virt. eigenvalues -- 1.11901 1.14573 1.16738 1.19491 1.19993 Alpha virt. eigenvalues -- 1.22283 1.30481 1.36731 1.43665 1.44161 Alpha virt. eigenvalues -- 1.44501 1.55751 1.62905 1.67629 1.68195 Alpha virt. eigenvalues -- 1.70347 1.76651 1.77949 1.80974 1.86939 Alpha virt. eigenvalues -- 1.87598 1.95743 1.96726 2.01143 2.04811 Alpha virt. eigenvalues -- 2.07130 2.08380 2.09028 2.10893 2.12069 Alpha virt. eigenvalues -- 2.13279 2.14589 2.19990 2.22265 2.25988 Alpha virt. eigenvalues -- 2.28397 2.29570 2.31968 2.38025 2.39806 Alpha virt. eigenvalues -- 2.43923 2.45263 2.47114 2.47693 2.48271 Alpha virt. eigenvalues -- 2.49568 2.51051 2.53036 2.54770 2.56837 Alpha virt. eigenvalues -- 2.62024 2.66763 2.76279 2.77685 2.87226 Alpha virt. eigenvalues -- 2.93221 2.95639 2.98501 3.00069 4.31305 Alpha virt. eigenvalues -- 4.46237 4.46822 4.47987 4.56965 4.66729 Alpha virt. eigenvalues -- 4.70668 4.74308 4.79498 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.157566 0.312099 0.390587 0.392221 0.389767 -0.042670 2 C 0.312099 5.168701 -0.036826 -0.031017 -0.037853 0.160008 3 H 0.390587 -0.036826 0.497559 -0.021561 -0.024031 -0.001720 4 H 0.392221 -0.031017 -0.021561 0.452138 -0.019003 0.002685 5 H 0.389767 -0.037853 -0.024031 -0.019003 0.495432 -0.001356 6 N -0.042670 0.160008 -0.001720 0.002685 -0.001356 7.317848 7 H -0.034700 0.403662 0.003009 -0.002293 -0.002257 -0.030799 8 H -0.036317 0.402762 -0.002952 -0.001550 0.003027 -0.031634 9 C -0.002727 -0.046247 -0.000630 0.000117 -0.000774 0.181268 10 C -0.002736 -0.002055 -0.000415 0.000007 0.000094 -0.039800 11 H 0.000022 -0.004070 -0.002025 0.000088 -0.000135 -0.031574 12 H 0.000047 0.003111 0.000152 -0.000000 -0.000024 -0.033246 13 H -0.000419 -0.000333 0.001501 0.000010 -0.000019 -0.001924 14 H 0.000018 0.000040 0.000021 -0.000000 0.000001 0.002639 15 H 0.000084 -0.000440 -0.000015 0.000001 -0.000002 -0.001301 16 C 0.002788 -0.052959 -0.000149 -0.000047 -0.000101 0.168357 17 C 0.000021 -0.002407 -0.000002 0.000001 0.000001 -0.035957 18 H -0.000069 -0.003576 0.000010 -0.000003 -0.000001 -0.033998 19 H -0.000056 0.003309 0.000000 0.000001 0.000002 -0.035022 20 H 0.000063 0.000640 -0.000001 0.000003 0.000004 -0.001775 21 H 0.000001 -0.000013 0.000000 -0.000000 -0.000000 0.002780 22 H -0.000008 0.000076 0.000000 0.000000 -0.000001 -0.002005 23 C 0.000420 -0.042569 -0.000327 -0.000066 0.000812 0.154460 24 C -0.004289 -0.003313 0.000128 0.000085 -0.001185 -0.032593 25 H 0.000007 0.002669 -0.000007 0.000001 0.000094 -0.034829 26 H 0.000749 -0.002416 -0.000132 0.000007 -0.000958 -0.032497 27 H 0.000208 -0.001224 -0.000003 -0.000000 -0.000006 0.000237 28 H 0.000015 0.000182 0.000000 -0.000001 0.000038 0.002502 29 H -0.001395 -0.000888 0.000023 0.000059 0.001620 -0.002072 7 8 9 10 11 12 1 C -0.034700 -0.036317 -0.002727 -0.002736 0.000022 0.000047 2 C 0.403662 0.402762 -0.046247 -0.002055 -0.004070 0.003111 3 H 0.003009 -0.002952 -0.000630 -0.000415 -0.002025 0.000152 4 H -0.002293 -0.001550 0.000117 0.000007 0.000088 -0.000000 5 H -0.002257 0.003027 -0.000774 0.000094 -0.000135 -0.000024 6 N -0.030799 -0.031634 0.181268 -0.039800 -0.031574 -0.033246 7 H 0.453481 -0.025794 0.002997 0.000057 -0.000084 -0.000031 8 H -0.025794 0.457261 -0.004222 0.000362 0.000080 -0.000070 9 C 0.002997 -0.004222 5.185519 0.309754 0.403575 0.402909 10 C 0.000057 0.000362 0.309754 5.157661 -0.036447 -0.036149 11 H -0.000084 0.000080 0.403575 -0.036447 0.456661 -0.023711 12 H -0.000031 -0.000070 0.402909 -0.036149 -0.023711 0.456709 13 H 0.000136 -0.001438 -0.038016 0.390044 -0.002309 0.003010 14 H 0.000000 0.000056 -0.030184 0.391875 -0.002319 -0.002009 15 H -0.000018 -0.000193 -0.037713 0.391152 0.002990 -0.002168 16 C -0.002856 -0.002964 -0.059711 -0.004273 0.003656 -0.005241 17 C 0.000474 -0.000020 0.002915 0.000142 -0.000049 -0.000118 18 H -0.000081 0.001634 -0.004957 -0.000650 -0.000066 0.000111 19 H -0.000050 0.000073 -0.002730 -0.000945 0.000144 0.001714 20 H 0.000062 0.000159 -0.000082 -0.000008 0.000003 -0.000001 21 H 0.000017 -0.000024 -0.000051 0.000005 0.000001 -0.000003 22 H -0.000009 -0.000001 -0.000155 -0.000003 -0.000001 0.000005 23 C -0.004925 0.002824 -0.064430 0.003475 -0.005184 -0.002685 24 C -0.000771 0.000106 0.002996 -0.000064 -0.000009 0.000050 25 H -0.000047 -0.000030 -0.002674 -0.000110 0.000131 0.001189 26 H 0.000089 -0.000096 -0.003935 0.000193 0.001082 -0.000537 27 H -0.000356 -0.000030 -0.000086 0.000001 -0.000002 0.000001 28 H 0.000118 -0.000000 -0.000060 0.000001 -0.000003 -0.000002 29 H -0.002149 0.000142 -0.000166 0.000000 0.000018 -0.000001 13 14 15 16 17 18 1 C -0.000419 0.000018 0.000084 0.002788 0.000021 -0.000069 2 C -0.000333 0.000040 -0.000440 -0.052959 -0.002407 -0.003576 3 H 0.001501 0.000021 -0.000015 -0.000149 -0.000002 0.000010 4 H 0.000010 -0.000000 0.000001 -0.000047 0.000001 -0.000003 5 H -0.000019 0.000001 -0.000002 -0.000101 0.000001 -0.000001 6 N -0.001924 0.002639 -0.001301 0.168357 -0.035957 -0.033998 7 H 0.000136 0.000000 -0.000018 -0.002856 0.000474 -0.000081 8 H -0.001438 0.000056 -0.000193 -0.002964 -0.000020 0.001634 9 C -0.038016 -0.030184 -0.037713 -0.059711 0.002915 -0.004957 10 C 0.390044 0.391875 0.391152 -0.004273 0.000142 -0.000650 11 H -0.002309 -0.002319 0.002990 0.003656 -0.000049 -0.000066 12 H 0.003010 -0.002009 -0.002168 -0.005241 -0.000118 0.000111 13 H 0.497774 -0.020902 -0.022247 -0.000351 -0.000021 -0.000065 14 H -0.020902 0.454154 -0.021282 0.000094 0.000000 0.000092 15 H -0.022247 -0.021282 0.491850 -0.000015 0.000162 -0.001445 16 C -0.000351 0.000094 -0.000015 5.166313 0.309773 0.405272 17 C -0.000021 0.000000 0.000162 0.309773 5.157479 -0.039944 18 H -0.000065 0.000092 -0.001445 0.405272 -0.039944 0.461797 19 H 0.000027 -0.000029 0.000188 0.402373 -0.038297 -0.021294 20 H -0.000001 -0.000000 0.000004 -0.039660 0.390885 -0.001840 21 H 0.000000 -0.000000 0.000004 -0.030516 0.392498 -0.003632 22 H 0.000000 0.000000 -0.000004 -0.039492 0.392984 0.003553 23 C -0.000124 -0.000050 -0.000146 -0.038247 -0.003207 0.003211 24 C 0.000002 0.000001 0.000001 -0.000538 -0.005715 -0.000159 25 H -0.000001 0.000001 0.000005 -0.001517 -0.001201 0.000099 26 H 0.000003 -0.000009 -0.000002 0.002370 0.000059 -0.000056 27 H 0.000000 -0.000000 -0.000000 -0.000309 -0.002900 -0.000008 28 H -0.000000 -0.000000 -0.000000 -0.000071 0.000123 0.000002 29 H -0.000001 0.000000 0.000000 0.000182 0.000007 0.000005 19 20 21 22 23 24 1 C -0.000056 0.000063 0.000001 -0.000008 0.000420 -0.004289 2 C 0.003309 0.000640 -0.000013 0.000076 -0.042569 -0.003313 3 H 0.000000 -0.000001 0.000000 0.000000 -0.000327 0.000128 4 H 0.000001 0.000003 -0.000000 0.000000 -0.000066 0.000085 5 H 0.000002 0.000004 -0.000000 -0.000001 0.000812 -0.001185 6 N -0.035022 -0.001775 0.002780 -0.002005 0.154460 -0.032593 7 H -0.000050 0.000062 0.000017 -0.000009 -0.004925 -0.000771 8 H 0.000073 0.000159 -0.000024 -0.000001 0.002824 0.000106 9 C -0.002730 -0.000082 -0.000051 -0.000155 -0.064430 0.002996 10 C -0.000945 -0.000008 0.000005 -0.000003 0.003475 -0.000064 11 H 0.000144 0.000003 0.000001 -0.000001 -0.005184 -0.000009 12 H 0.001714 -0.000001 -0.000003 0.000005 -0.002685 0.000050 13 H 0.000027 -0.000001 0.000000 0.000000 -0.000124 0.000002 14 H -0.000029 -0.000000 -0.000000 0.000000 -0.000050 0.000001 15 H 0.000188 0.000004 0.000004 -0.000004 -0.000146 0.000001 16 C 0.402373 -0.039660 -0.030516 -0.039492 -0.038247 -0.000538 17 C -0.038297 0.390885 0.392498 0.392984 -0.003207 -0.005715 18 H -0.021294 -0.001840 -0.003632 0.003553 0.003211 -0.000159 19 H 0.459579 0.003233 -0.001729 -0.003108 -0.002740 0.000064 20 H 0.003233 0.495413 -0.020122 -0.020823 -0.000311 -0.000869 21 H -0.001729 -0.020122 0.458397 -0.024818 -0.000110 0.000233 22 H -0.003108 -0.020823 -0.024818 0.499757 0.001992 -0.004925 23 C -0.002740 -0.000311 -0.000110 0.001992 5.164398 0.311123 24 C 0.000064 -0.000869 0.000233 -0.004925 0.311123 5.169108 25 H 0.001274 0.000068 -0.000047 0.000294 0.399647 -0.030652 26 H -0.000095 -0.000022 0.000003 0.000035 0.406168 -0.043898 27 H 0.000003 -0.000756 0.000314 -0.001050 -0.034552 0.391618 28 H 0.000002 0.000017 -0.000003 0.000158 -0.030547 0.390545 29 H -0.000001 -0.000006 -0.000005 0.000133 -0.036985 0.390935 25 26 27 28 29 1 C 0.000007 0.000749 0.000208 0.000015 -0.001395 2 C 0.002669 -0.002416 -0.001224 0.000182 -0.000888 3 H -0.000007 -0.000132 -0.000003 0.000000 0.000023 4 H 0.000001 0.000007 -0.000000 -0.000001 0.000059 5 H 0.000094 -0.000958 -0.000006 0.000038 0.001620 6 N -0.034829 -0.032497 0.000237 0.002502 -0.002072 7 H -0.000047 0.000089 -0.000356 0.000118 -0.002149 8 H -0.000030 -0.000096 -0.000030 -0.000000 0.000142 9 C -0.002674 -0.003935 -0.000086 -0.000060 -0.000166 10 C -0.000110 0.000193 0.000001 0.000001 0.000000 11 H 0.000131 0.001082 -0.000002 -0.000003 0.000018 12 H 0.001189 -0.000537 0.000001 -0.000002 -0.000001 13 H -0.000001 0.000003 0.000000 -0.000000 -0.000001 14 H 0.000001 -0.000009 -0.000000 -0.000000 0.000000 15 H 0.000005 -0.000002 -0.000000 -0.000000 0.000000 16 C -0.001517 0.002370 -0.000309 -0.000071 0.000182 17 C -0.001201 0.000059 -0.002900 0.000123 0.000007 18 H 0.000099 -0.000056 -0.000008 0.000002 0.000005 19 H 0.001274 -0.000095 0.000003 0.000002 -0.000001 20 H 0.000068 -0.000022 -0.000756 0.000017 -0.000006 21 H -0.000047 0.000003 0.000314 -0.000003 -0.000005 22 H 0.000294 0.000035 -0.001050 0.000158 0.000133 23 C 0.399647 0.406168 -0.034552 -0.030547 -0.036985 24 C -0.030652 -0.043898 0.391618 0.390545 0.390935 25 H 0.452854 -0.023557 -0.001564 -0.002189 0.002840 26 H -0.023557 0.462912 0.003091 -0.001994 -0.003214 27 H -0.001564 0.003091 0.483426 -0.020290 -0.025079 28 H -0.002189 -0.001994 -0.020290 0.458463 -0.022092 29 H 0.002840 -0.003214 -0.025079 -0.022092 0.502547 Mulliken atomic charges: 1 1 C -0.521296 2 C -0.189055 3 H 0.197805 4 H 0.228117 5 H 0.196810 6 N -0.566013 7 H 0.243117 8 H 0.238851 9 C -0.192500 10 C -0.521169 11 H 0.239535 12 H 0.236987 13 H 0.195665 14 H 0.227794 15 H 0.200549 16 C -0.182162 17 C -0.517686 18 H 0.236054 19 H 0.234111 20 H 0.195725 21 H 0.226821 22 H 0.197417 23 C -0.181321 24 C -0.528013 25 H 0.237253 26 H 0.236657 27 H 0.209316 28 H 0.225086 29 H 0.195544 Sum of Mulliken atomic charges = 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.101436 2 C 0.292913 6 N -0.566013 9 C 0.284022 10 C 0.102840 16 C 0.288003 17 C 0.102277 23 C 0.292588 24 C 0.101933 Sum of Mulliken charges with hydrogens summed into heavy atoms = 1.00000 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 33473134 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 PRISM was handed 33253665 working-precision words and 2849 shell-pairs IPart= 0 NShTot= 2849 NBatch= 40 AvBLen= 71.2 Electronic moments (au): -74.00000000 -0.11102035 -0.16907668 0.20496793 -672.28514958 -498.87890505 -252.33322893 -0.03692179 0.10432775 -0.22683227 253.85634336 -124.93716652 -13.50244121 -203.23635091 239.02997068 -193.74914548 -45.23649505 -109.45358258 369.32051598 -406.99836260 -14401.10783269 -7903.27735752 -2195.96305473 -2005.98989539 273.15982182 1573.91762095 270.12873325 -52.38781809 94.43149143 -4177.58058224 -1856.03956285 -1634.73065113 -595.31707217 -58.42311784 210.86944054 Electronic spatial extent (au): = 1423.4973 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 75.00000000 -0.00000000 -0.00000000 0.00000000 636.71172104 462.46620176 214.05884745 0.00000000 0.00000000 -0.00000000 -262.20508540 116.36469514 15.60413939 207.74018095 -241.23326221 203.67649111 45.14146584 113.27816515 -374.45367715 413.58611263 12184.44340572 6263.62269137 1370.00461669 2035.34812316 -291.63075807 -1603.66624586 -265.63041948 63.68492202 -113.96607004 3525.54815966 1357.17585640 1238.62106994 605.34104050 63.36323455 -208.66173769 Total moments (au): 1.00000000 -0.11102035 -0.16907668 0.20496793 -35.57342854 -36.41270330 -38.27438148 -0.03692179 0.10432775 -0.22683227 -8.34874203 -8.57247138 2.10169818 4.50383004 -2.20329153 9.92734563 -0.09502921 3.82458257 -5.13316118 6.58775003 -2216.66442697 -1639.65466615 -825.95843804 29.35822777 -18.47093626 -29.74862491 4.49831377 11.29710393 -19.53457861 -652.03242258 -498.86370645 -396.10958119 10.02396833 4.94011672 2.20770285 Traceless Quadrup. (au): 1.18007589 0.34080114 -1.52087704 -0.03692179 0.10432775 -0.22683227 Charge= 1.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2822 Y= -0.4298 Z= 0.5210 Tot= 0.7319 Quadrupole moment (field-independent basis, Debye-Ang): XX= -47.8475 YY= -48.9763 ZZ= -51.4804 XY= -0.0497 XZ= 0.1403 YZ= -0.3051 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.5872 YY= 0.4584 ZZ= -2.0456 XY= -0.0497 XZ= 0.1403 YZ= -0.3051 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -5.9423 YYY= -6.1016 ZZZ= 1.4959 XYY= 3.2057 XXY= -1.5682 XXZ= 7.0659 XZZ= -0.0676 YZZ= 2.7222 YYZ= -3.6536 XYZ= 4.6889 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -834.9021 YYYY= -617.5725 ZZZZ= -311.0955 XXXY= 11.0577 XXXZ= -6.9570 YYYX= -11.2048 YYYZ= 1.6943 ZZZX= 4.2550 ZZZY= -7.3577 XXYY= -245.5867 XXZZ= -187.8960 YYZZ= -149.1939 XXYZ= 3.7755 YYXZ= 1.8607 ZZXY= 0.8315 N-N= 5.370523245905D+02 E-N=-1.917271138903D+03 KE= 3.677147145683D+02 Entering OneElI... OneElI was handed 33410984 working-precision words. Calculate electrostatic properties NBasis = 175 MinDer = 0 MaxDer = 0 NGrid = 29 NMatD = 1 Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 8 ThrOK=T IAlg=1 PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs PRISM was handed 4081406 working-precision words and 2723 shell-pairs IPart= 0 NShTot= 10324 NBatch= 356 AvBLen= 29.0 IPart= 4 NShTot= 9744 NBatch= 336 AvBLen= 29.0 IPart= 7 NShTot= 9425 NBatch= 325 AvBLen= 29.0 IPart= 3 NShTot= 10005 NBatch= 345 AvBLen= 29.0 IPart= 5 NShTot= 9628 NBatch= 332 AvBLen= 29.0 IPart= 6 NShTot= 9541 NBatch= 329 AvBLen= 29.0 IPart= 2 NShTot= 10121 NBatch= 349 AvBLen= 29.0 IPart= 1 NShTot= 10179 NBatch= 351 AvBLen= 29.0 -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.028810 -0.088732 0.059922 2 Atom 0.202946 0.031511 -0.234458 3 Atom -0.215022 0.127227 0.087795 4 Atom 0.136706 0.040533 -0.177239 5 Atom 0.005872 0.013949 -0.019821 6 Atom 0.017814 -0.003348 -0.014467 7 Atom -0.170584 0.126872 0.043712 8 Atom -0.002615 0.031407 -0.028793 9 Atom -0.216567 0.206765 0.009802 10 Atom -0.055942 0.031834 0.024109 11 Atom 0.091478 -0.183097 0.091619 12 Atom 0.101953 0.012628 -0.114581 13 Atom 0.110204 0.008000 -0.118205 14 Atom -0.115469 0.137092 -0.021622 15 Atom 0.118174 -0.223039 0.104865 16 Atom 0.187917 -0.353189 0.165272 17 Atom -0.074691 0.051091 0.023600 18 Atom -0.031203 0.076230 -0.045027 19 Atom 0.131078 -0.012917 -0.118161 20 Atom 0.119601 0.002348 -0.121949 21 Atom 0.123600 -0.229642 0.106043 22 Atom -0.066601 0.129462 -0.062861 23 Atom -0.027460 0.110692 -0.083232 24 Atom -0.069541 0.023001 0.046539 25 Atom 0.099518 -0.061931 -0.037587 26 Atom 0.036679 -0.069532 0.032853 27 Atom -0.002131 -0.022587 0.024718 28 Atom 0.011380 0.089881 -0.101261 29 Atom 0.105229 -0.110437 0.005208 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.057930 0.002644 -0.017736 2 Atom 0.041619 -0.057978 0.262830 3 Atom -0.015388 0.137757 0.007842 4 Atom 0.011069 -0.009717 0.161935 5 Atom -0.118758 -0.147562 -0.137705 6 Atom -0.009034 -0.011693 -0.000601 7 Atom -0.024695 0.154833 0.026770 8 Atom -0.113426 -0.149446 -0.107475 9 Atom -0.031698 0.276469 0.023254 10 Atom -0.051059 -0.066504 -0.023208 11 Atom 0.084416 0.041688 -0.114382 12 Atom 0.036025 -0.041722 0.176334 13 Atom 0.047318 -0.077977 0.182189 14 Atom -0.005227 0.189687 -0.002739 15 Atom 0.062768 0.016312 -0.114266 16 Atom 0.118370 0.030098 -0.129054 17 Atom 0.038548 0.056729 -0.004166 18 Atom -0.071992 -0.171559 -0.090520 19 Atom -0.009667 0.029758 0.171542 20 Atom -0.033218 0.055447 0.188430 21 Atom 0.027025 0.012718 -0.106966 22 Atom -0.042686 -0.195152 -0.045966 23 Atom -0.153814 -0.258462 -0.154328 24 Atom -0.080297 0.043704 0.038098 25 Atom 0.061207 -0.077556 0.172212 26 Atom 0.120989 0.078646 -0.145818 27 Atom 0.146361 0.134345 -0.139528 28 Atom -0.080478 -0.161140 -0.103243 29 Atom 0.073347 -0.054805 0.186741 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.1142 -15.328 -5.469 -5.113 -0.3751 0.9216 0.0996 1 C(13) Bbb 0.0509 6.827 2.436 2.277 0.8753 0.3168 0.3654 Bcc 0.0633 8.501 3.033 2.835 -0.3052 -0.2242 0.9255 Baa -0.4044 -54.263 -19.363 -18.100 0.1164 -0.5210 0.8456 2 C(13) Bbb 0.1918 25.734 9.183 8.584 -0.2490 0.8089 0.5326 Bcc 0.2126 28.529 10.180 9.516 0.9615 0.2726 0.0356 Baa -0.2691 -143.556 -51.224 -47.885 0.9317 0.0433 -0.3606 3 H(1) Bbb 0.1277 68.156 24.320 22.734 -0.0872 0.9905 -0.1064 Bcc 0.1413 75.400 26.905 25.151 0.3526 0.1306 0.9266 Baa -0.2640 -140.839 -50.255 -46.979 0.0344 -0.4702 0.8819 4 H(1) Bbb 0.1246 66.497 23.728 22.181 -0.3825 0.8090 0.4463 Bcc 0.1393 74.342 26.527 24.798 0.9233 0.3527 0.1521 Baa -0.2710 -144.616 -51.602 -48.239 0.5644 0.5378 0.6263 5 H(1) Bbb 0.1282 68.406 24.409 22.818 -0.5923 0.7922 -0.1465 Bcc 0.1428 76.209 27.193 25.421 -0.5750 -0.2883 0.7657 Baa -0.0191 -0.735 -0.262 -0.245 0.3454 0.2333 0.9090 6 N(14) Bbb -0.0051 -0.198 -0.071 -0.066 0.2041 0.9267 -0.3154 Bcc 0.0242 0.933 0.333 0.311 0.9160 -0.2945 -0.2724 Baa -0.2548 -135.956 -48.513 -45.350 0.8808 0.0896 -0.4649 7 H(1) Bbb 0.1149 61.329 21.884 20.457 0.4123 -0.6280 0.6601 Bcc 0.1399 74.627 26.629 24.893 0.2328 0.7731 0.5901 Baa -0.2516 -134.267 -47.910 -44.787 0.6017 0.4827 0.6363 8 H(1) Bbb 0.1129 60.248 21.498 20.096 0.0016 0.7960 -0.6053 Bcc 0.1387 74.020 26.412 24.690 0.7987 -0.3653 -0.4782 Baa -0.4046 -54.300 -19.375 -18.112 0.8285 0.0641 -0.5563 9 C(13) Bbb 0.1952 26.190 9.345 8.736 0.5598 -0.1151 0.8206 Bcc 0.2095 28.110 10.030 9.376 0.0114 0.9913 0.1313 Baa -0.1148 -15.410 -5.499 -5.140 0.8183 0.3562 0.4511 10 C(13) Bbb 0.0511 6.860 2.448 2.288 -0.0918 0.8557 -0.5092 Bcc 0.0637 8.550 3.051 2.852 -0.5675 0.3753 0.7329 Baa -0.2501 -133.459 -47.622 -44.517 -0.2644 0.9044 0.3349 11 H(1) Bbb 0.1122 59.866 21.362 19.969 0.8669 0.3750 -0.3285 Bcc 0.1379 73.593 26.260 24.548 0.4227 -0.2035 0.8831 Baa -0.2471 -131.816 -47.035 -43.969 0.1553 -0.5696 0.8071 12 H(1) Bbb 0.1095 58.413 20.843 19.484 0.9684 -0.0737 -0.2383 Bcc 0.1376 73.403 26.192 24.485 0.1952 0.8186 0.5402 Baa -0.2697 -143.898 -51.346 -47.999 0.2329 -0.5609 0.7944 13 H(1) Bbb 0.1278 68.162 24.322 22.737 0.8141 0.5593 0.1562 Bcc 0.1419 75.735 27.024 25.263 -0.5319 0.6104 0.5869 Baa -0.2640 -140.839 -50.255 -46.979 0.7875 0.0061 -0.6163 14 H(1) Bbb 0.1246 66.456 23.713 22.167 0.5646 0.3938 0.7253 Bcc 0.1394 74.383 26.542 24.812 -0.2471 0.9192 -0.3067 Baa -0.2697 -143.923 -51.355 -48.008 -0.1647 0.9414 0.2943 15 H(1) Bbb 0.1282 68.388 24.402 22.812 0.9558 0.0787 0.2832 Bcc 0.1416 75.536 26.953 25.196 -0.2435 -0.3280 0.9128 Baa -0.4085 -54.822 -19.562 -18.287 -0.2006 0.9535 0.2250 16 C(13) Bbb 0.1954 26.215 9.354 8.744 -0.1193 -0.2517 0.9604 Bcc 0.2132 28.607 10.208 9.542 0.9724 0.1658 0.1643 Baa -0.1091 -14.641 -5.224 -4.884 0.8933 -0.2251 -0.3890 17 C(13) Bbb 0.0416 5.587 1.994 1.864 0.2197 -0.5364 0.8149 Bcc 0.0675 9.054 3.231 3.020 0.3920 0.8134 0.4297 Baa -0.2504 -133.624 -47.680 -44.572 0.6465 0.3327 0.6866 18 H(1) Bbb 0.1120 59.776 21.329 19.939 -0.5185 0.8517 0.0755 Bcc 0.1384 73.849 26.351 24.633 -0.5596 -0.4048 0.7232 Baa -0.2473 -131.948 -47.082 -44.013 -0.0782 -0.5909 0.8029 19 H(1) Bbb 0.1098 58.563 20.897 19.535 -0.3844 0.7610 0.5226 Bcc 0.1375 73.384 26.185 24.478 0.9198 0.2678 0.2867 Baa -0.2689 -143.467 -51.193 -47.856 -0.1636 -0.5763 0.8007 20 H(1) Bbb 0.1275 68.051 24.282 22.699 0.8834 -0.4469 -0.1412 Bcc 0.1413 75.416 26.910 25.156 0.4392 0.6843 0.5822 Baa -0.2631 -140.368 -50.087 -46.822 -0.0761 0.9570 0.2799 21 H(1) Bbb 0.1242 66.269 23.647 22.105 0.9395 0.1629 -0.3015 Bcc 0.1389 74.098 26.440 24.717 0.3341 -0.2401 0.9115 Baa -0.2697 -143.917 -51.353 -48.005 0.7012 0.1551 0.6959 22 H(1) Bbb 0.1297 69.218 24.699 23.089 0.7088 -0.2577 -0.6567 Bcc 0.1400 74.698 26.654 24.917 0.0775 0.9537 -0.2906 Baa -0.4068 -54.593 -19.480 -18.210 0.6212 0.3877 0.6810 23 C(13) Bbb 0.1929 25.884 9.236 8.634 0.2979 0.6870 -0.6628 Bcc 0.2139 28.709 10.244 9.576 0.7248 -0.6146 -0.3113 Baa -0.1339 -17.974 -6.414 -5.996 0.8171 0.4913 -0.3016 24 C(13) Bbb 0.0561 7.526 2.685 2.510 0.5239 -0.4145 0.7441 Bcc 0.0779 10.448 3.728 3.485 -0.2406 0.7660 0.5961 Baa -0.2498 -133.255 -47.549 -44.449 -0.2697 0.6971 -0.6644 25 H(1) Bbb 0.1103 58.843 20.997 19.628 0.6316 0.6488 0.4244 Bcc 0.1395 74.412 26.552 24.821 0.7269 -0.3052 -0.6152 Baa -0.2464 -131.445 -46.903 -43.845 -0.4540 0.7309 0.5096 26 H(1) Bbb 0.1092 58.237 20.781 19.426 0.8746 0.2564 0.4115 Bcc 0.1372 73.208 26.122 24.419 -0.1701 -0.6325 0.7556 Baa -0.2816 -150.222 -53.603 -50.109 -0.5793 0.6154 0.5345 27 H(1) Bbb 0.1339 71.418 25.484 23.822 0.6453 0.7469 -0.1605 Bcc 0.1477 78.804 28.119 26.286 0.4979 -0.2520 0.8298 Baa -0.2640 -140.847 -50.258 -46.982 0.5472 0.3467 0.7618 28 H(1) Bbb 0.1237 65.992 23.548 22.013 0.6888 0.3306 -0.6452 Bcc 0.1403 74.855 26.710 24.969 -0.4755 0.8778 -0.0579 Baa -0.2704 -144.283 -51.484 -48.128 -0.2368 0.7818 -0.5768 29 H(1) Bbb 0.1275 68.041 24.279 22.696 0.9709 0.2126 -0.1104 Bcc 0.1429 76.242 27.205 25.432 -0.0364 0.5861 0.8094 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue Sep 15 17:38:49 2020, MaxMem= 33554432 cpu: 1.1 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 1 1.20 4 1 1.20 5 1 1.20 6 7 1.50 7 1 1.20 8 1 1.20 9 6 1.50 10 6 1.50 11 1 1.20 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 6 1.50 17 6 1.50 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 1 1.20 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 27 1 1.20 28 1 1.20 29 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at -0.840812 2.102200 -0.842149 Atomic Center 2 is at -0.259973 0.691279 -1.062738 Atomic Center 3 is at -1.876428 2.064624 -0.450582 Atomic Center 4 is at -0.884228 2.630166 -1.818085 Atomic Center 5 is at -0.220176 2.707372 -0.153520 Atomic Center 6 is at -0.083534 -0.136343 0.180037 Atomic Center 7 is at 0.707190 0.803442 -1.593649 Atomic Center 8 is at -0.924558 0.174087 -1.787974 Atomic Center 9 is at -1.379705 -0.243497 0.945869 Atomic Center 10 is at -2.586577 -0.823587 0.180459 Atomic Center 11 is at -1.695758 0.750711 1.330295 Atomic Center 12 is at -1.233567 -0.874789 1.853153 Atomic Center 13 is at -2.857158 -0.203343 -0.696789 Atomic Center 14 is at -3.466150 -0.834909 0.858248 Atomic Center 15 is at -2.415735 -1.869923 -0.139949 Atomic Center 16 is at 0.307806 -1.541640 -0.202762 Atomic Center 17 is at 1.709615 -1.756925 -0.782882 Atomic Center 18 is at -0.391407 -1.930395 -0.974061 Atomic Center 19 is at 0.233898 -2.221377 0.677251 Atomic Center 20 is at 1.890619 -1.128696 -1.677970 Atomic Center 21 is at 1.806644 -2.819025 -1.093476 Atomic Center 22 is at 2.486140 -1.602968 -0.009965 Atomic Center 23 is at 0.909980 0.475088 1.139665 Atomic Center 24 is at 2.176851 1.142690 0.549024 Atomic Center 25 is at 1.223166 -0.285284 1.890560 Atomic Center 26 is at 0.431421 1.298091 1.718364 Atomic Center 27 is at 2.825720 0.477890 -0.038910 Atomic Center 28 is at 2.792362 1.531544 1.387671 Atomic Center 29 is at 1.929646 2.013542 -0.087787 ESP Fit Center 30 is at -1.543905 3.033245 0.903937 ESP Fit Center 31 is at -1.558935 3.904551 -0.038514 ESP Fit Center 32 is at -1.929598 3.708038 -0.038514 ESP Fit Center 33 is at -1.357069 4.096099 -0.432459 ESP Fit Center 34 is at -1.747870 3.951362 -0.432459 ESP Fit Center 35 is at -2.101536 3.730921 -0.432459 ESP Fit Center 36 is at -0.840812 4.202200 -0.842149 ESP Fit Center 37 is at -1.250502 4.161849 -0.842149 ESP Fit Center 38 is at -1.644448 4.042347 -0.842149 ESP Fit Center 39 is at -2.007510 3.848286 -0.842149 ESP Fit Center 40 is at 1.051918 2.914435 -1.251838 ESP Fit Center 41 is at -0.125486 4.033640 -1.251838 ESP Fit Center 42 is at -2.101536 3.730921 -1.251838 ESP Fit Center 43 is at 1.053975 2.519274 -1.645784 ESP Fit Center 44 is at 0.920017 2.916847 -1.645784 ESP Fit Center 45 is at 0.703725 3.276327 -1.645784 ESP Fit Center 46 is at -2.503241 3.102450 -1.645784 ESP Fit Center 47 is at 0.854536 2.520066 -2.008846 ESP Fit Center 48 is at -2.586899 2.102200 -2.008846 ESP Fit Center 49 is at -2.536161 1.684334 -2.008846 ESP Fit Center 50 is at -2.386895 1.290753 -2.008846 ESP Fit Center 51 is at -2.265587 1.683849 -2.327073 ESP Fit Center 52 is at -2.090010 1.299389 -2.327073 ESP Fit Center 53 is at 0.356887 -0.659455 -2.547663 ESP Fit Center 54 is at -0.259973 1.494915 -3.002885 ESP Fit Center 55 is at -0.661791 1.387248 -3.002885 ESP Fit Center 56 is at -0.055128 1.046081 -3.122388 ESP Fit Center 57 is at -1.659020 2.441185 1.172173 ESP Fit Center 58 is at -2.093836 2.441185 1.172173 ESP Fit Center 59 is at -1.876428 2.904624 1.004341 ESP Fit Center 60 is at -2.296428 2.792085 1.004341 ESP Fit Center 61 is at -2.603890 2.484624 1.004341 ESP Fit Center 62 is at -2.716428 2.064624 1.004341 ESP Fit Center 63 is at -1.766819 3.247496 0.737357 ESP Fit Center 64 is at -2.201523 3.207214 0.737357 ESP Fit Center 65 is at -2.592322 3.012620 0.737357 ESP Fit Center 66 is at -2.886435 2.689993 0.737357 ESP Fit Center 67 is at -3.044141 2.282907 0.737357 ESP Fit Center 68 is at -3.044141 1.846340 0.737357 ESP Fit Center 69 is at -2.200179 3.483068 0.389418 ESP Fit Center 70 is at -2.603890 3.324624 0.389418 ESP Fit Center 71 is at -2.942962 3.054222 0.389418 ESP Fit Center 72 is at -3.187268 2.695891 0.389418 ESP Fit Center 73 is at -3.315101 2.281469 0.389418 ESP Fit Center 74 is at -3.315101 1.847779 0.389418 ESP Fit Center 75 is at -3.187268 1.433356 0.389418 ESP Fit Center 76 is at -2.296428 3.632085 -0.015766 ESP Fit Center 77 is at -2.687806 3.469971 -0.015766 ESP Fit Center 78 is at -3.023890 3.212085 -0.015766 ESP Fit Center 79 is at -3.281776 2.876001 -0.015766 ESP Fit Center 80 is at -3.443890 2.484624 -0.015766 ESP Fit Center 81 is at -3.499184 2.064624 -0.015766 ESP Fit Center 82 is at -3.443890 1.644624 -0.015766 ESP Fit Center 83 is at -2.191229 3.714866 -0.450582 ESP Fit Center 84 is at -2.591738 3.584733 -0.450582 ESP Fit Center 85 is at -2.947301 3.359086 -0.450582 ESP Fit Center 86 is at -3.235577 3.052103 -0.450582 ESP Fit Center 87 is at -3.438453 2.683073 -0.450582 ESP Fit Center 88 is at -3.543181 2.275183 -0.450582 ESP Fit Center 89 is at -3.543181 1.854064 -0.450582 ESP Fit Center 90 is at -3.438453 1.446174 -0.450582 ESP Fit Center 91 is at -2.296428 3.632085 -0.885398 ESP Fit Center 92 is at -2.687806 3.469971 -0.885398 ESP Fit Center 93 is at -3.023890 3.212085 -0.885398 ESP Fit Center 94 is at -3.281776 2.876001 -0.885398 ESP Fit Center 95 is at -3.443890 2.484624 -0.885398 ESP Fit Center 96 is at -3.499184 2.064624 -0.885398 ESP Fit Center 97 is at -3.443890 1.644624 -0.885398 ESP Fit Center 98 is at -2.603890 3.324624 -1.290582 ESP Fit Center 99 is at -2.942962 3.054222 -1.290582 ESP Fit Center 100 is at -3.187268 2.695891 -1.290582 ESP Fit Center 101 is at -3.315101 2.281469 -1.290582 ESP Fit Center 102 is at -3.315101 1.847779 -1.290582 ESP Fit Center 103 is at -3.187268 1.433356 -1.290582 ESP Fit Center 104 is at -2.592322 3.012620 -1.638521 ESP Fit Center 105 is at -2.886435 2.689993 -1.638521 ESP Fit Center 106 is at -3.044141 2.282907 -1.638521 ESP Fit Center 107 is at -3.044141 1.846340 -1.638521 ESP Fit Center 108 is at -2.886435 1.439254 -1.638521 ESP Fit Center 109 is at -2.716428 2.064624 -1.905505 ESP Fit Center 110 is at -2.603890 1.644624 -1.905505 ESP Fit Center 111 is at -0.072850 4.035513 -1.383269 ESP Fit Center 112 is at -0.464228 4.197627 -1.383269 ESP Fit Center 113 is at -0.884228 4.252921 -1.383269 ESP Fit Center 114 is at -1.304228 4.197627 -1.383269 ESP Fit Center 115 is at -1.695605 4.035513 -1.383269 ESP Fit Center 116 is at -2.031689 3.777627 -1.383269 ESP Fit Center 117 is at 0.587968 3.439512 -1.818085 ESP Fit Center 118 is at 0.340440 3.780205 -1.818085 ESP Fit Center 119 is at 0.015961 4.048637 -1.818085 ESP Fit Center 120 is at -0.365079 4.227941 -1.818085 ESP Fit Center 121 is at -0.778740 4.306851 -1.818085 ESP Fit Center 122 is at -1.199028 4.280409 -1.818085 ESP Fit Center 123 is at -1.599537 4.150276 -1.818085 ESP Fit Center 124 is at -1.955100 3.924628 -1.818085 ESP Fit Center 125 is at -2.243376 3.617645 -1.818085 ESP Fit Center 126 is at -2.446252 3.248615 -1.818085 ESP Fit Center 127 is at -2.550980 2.840726 -1.818085 ESP Fit Center 128 is at 0.738528 2.630166 -2.252901 ESP Fit Center 129 is at 0.683234 3.050166 -2.252901 ESP Fit Center 130 is at 0.521120 3.441544 -2.252901 ESP Fit Center 131 is at 0.263234 3.777627 -2.252901 ESP Fit Center 132 is at -0.072850 4.035513 -2.252901 ESP Fit Center 133 is at -0.464228 4.197627 -2.252901 ESP Fit Center 134 is at -0.884228 4.252921 -2.252901 ESP Fit Center 135 is at -1.304228 4.197627 -2.252901 ESP Fit Center 136 is at -1.695605 4.035513 -2.252901 ESP Fit Center 137 is at -2.031689 3.777627 -2.252901 ESP Fit Center 138 is at -2.289575 3.441544 -2.252901 ESP Fit Center 139 is at -2.451689 3.050166 -2.252901 ESP Fit Center 140 is at -2.506983 2.630166 -2.252901 ESP Fit Center 141 is at -2.451689 2.210166 -2.252901 ESP Fit Center 142 is at 0.570695 2.630166 -2.658085 ESP Fit Center 143 is at 0.506057 3.059012 -2.658085 ESP Fit Center 144 is at 0.317886 3.449753 -2.658085 ESP Fit Center 145 is at 0.022902 3.767670 -2.658085 ESP Fit Center 146 is at -0.352685 3.984515 -2.658085 ESP Fit Center 147 is at -0.775501 4.081021 -2.658085 ESP Fit Center 148 is at -1.207978 4.048611 -2.658085 ESP Fit Center 149 is at -1.611689 3.890166 -2.658085 ESP Fit Center 150 is at -1.950761 3.619765 -2.658085 ESP Fit Center 151 is at -2.195068 3.261433 -2.658085 ESP Fit Center 152 is at -2.322900 2.847011 -2.658085 ESP Fit Center 153 is at -2.322900 2.413321 -2.658085 ESP Fit Center 154 is at -2.195068 1.998899 -2.658085 ESP Fit Center 155 is at -1.950761 1.640567 -2.658085 ESP Fit Center 156 is at 0.506057 2.201320 -2.658085 ESP Fit Center 157 is at 0.303712 2.630166 -3.006024 ESP Fit Center 158 is at 0.223493 3.059299 -3.006024 ESP Fit Center 159 is at -0.006330 3.430476 -3.006024 ESP Fit Center 160 is at -0.354717 3.693566 -3.006024 ESP Fit Center 161 is at -0.774618 3.813038 -3.006024 ESP Fit Center 162 is at -1.209323 3.772757 -3.006024 ESP Fit Center 163 is at -1.600121 3.578162 -3.006024 ESP Fit Center 164 is at -1.894234 3.255536 -3.006024 ESP Fit Center 165 is at -2.051940 2.848449 -3.006024 ESP Fit Center 166 is at -2.051940 2.411883 -3.006024 ESP Fit Center 167 is at -1.894234 2.004797 -3.006024 ESP Fit Center 168 is at -1.600121 1.682170 -3.006024 ESP Fit Center 169 is at -1.209323 1.487576 -3.006024 ESP Fit Center 170 is at -0.774618 1.447294 -3.006024 ESP Fit Center 171 is at -0.354717 1.566766 -3.006024 ESP Fit Center 172 is at -0.006330 1.829856 -3.006024 ESP Fit Center 173 is at 0.223493 2.201033 -3.006024 ESP Fit Center 174 is at -0.044228 2.630166 -3.273007 ESP Fit Center 175 is at -0.156766 3.050166 -3.273007 ESP Fit Center 176 is at -0.464228 3.357627 -3.273007 ESP Fit Center 177 is at -0.884228 3.470166 -3.273007 ESP Fit Center 178 is at -1.304228 3.357627 -3.273007 ESP Fit Center 179 is at -1.611689 3.050166 -3.273007 ESP Fit Center 180 is at -1.724228 2.630166 -3.273007 ESP Fit Center 181 is at -1.611689 2.210166 -3.273007 ESP Fit Center 182 is at -1.304228 1.902705 -3.273007 ESP Fit Center 183 is at -0.884228 1.790166 -3.273007 ESP Fit Center 184 is at -0.464228 1.902705 -3.273007 ESP Fit Center 185 is at -0.156766 2.210166 -3.273007 ESP Fit Center 186 is at -0.449412 2.630166 -3.440840 ESP Fit Center 187 is at -0.666820 3.006728 -3.440840 ESP Fit Center 188 is at -1.101636 3.006728 -3.440840 ESP Fit Center 189 is at -1.319044 2.630166 -3.440840 ESP Fit Center 190 is at -1.101636 2.253604 -3.440840 ESP Fit Center 191 is at -0.666820 2.253604 -3.440840 ESP Fit Center 192 is at -0.884228 2.630166 -3.498085 ESP Fit Center 193 is at -0.002768 3.083933 1.469235 ESP Fit Center 194 is at -0.437584 3.083933 1.469235 ESP Fit Center 195 is at -0.654992 2.707372 1.469235 ESP Fit Center 196 is at 0.507285 3.127372 1.301402 ESP Fit Center 197 is at 0.199824 3.434833 1.301402 ESP Fit Center 198 is at -0.220176 3.547372 1.301402 ESP Fit Center 199 is at -0.640176 3.434833 1.301402 ESP Fit Center 200 is at -0.947637 3.127372 1.301402 ESP Fit Center 201 is at -1.060176 2.707372 1.301402 ESP Fit Center 202 is at -0.947637 2.287372 1.301402 ESP Fit Center 203 is at 0.887544 3.136505 1.034419 ESP Fit Center 204 is at 0.657722 3.507681 1.034419 ESP Fit Center 205 is at 0.309334 3.770771 1.034419 ESP Fit Center 206 is at -0.110567 3.890243 1.034419 ESP Fit Center 207 is at -0.545271 3.849962 1.034419 ESP Fit Center 208 is at -0.936070 3.655368 1.034419 ESP Fit Center 209 is at -1.230183 3.332741 1.034419 ESP Fit Center 210 is at -1.387889 2.925655 1.034419 ESP Fit Center 211 is at 0.981937 3.526959 0.686480 ESP Fit Center 212 is at 0.686953 3.844876 0.686480 ESP Fit Center 213 is at 0.311367 4.061721 0.686480 ESP Fit Center 214 is at -0.111450 4.158226 0.686480 ESP Fit Center 215 is at -0.543927 4.125816 0.686480 ESP Fit Center 216 is at -0.947637 3.967372 0.686480 ESP Fit Center 217 is at -1.286710 3.696970 0.686480 ESP Fit Center 218 is at 1.185171 3.518749 0.281296 ESP Fit Center 219 is at 0.927285 3.854833 0.281296 ESP Fit Center 220 is at 0.591202 4.112719 0.281296 ESP Fit Center 221 is at 0.199824 4.274833 0.281296 ESP Fit Center 222 is at -0.220176 4.330127 0.281296 ESP Fit Center 223 is at -0.640176 4.274833 0.281296 ESP Fit Center 224 is at -1.031554 4.112719 0.281296 ESP Fit Center 225 is at -1.367637 3.854833 0.281296 ESP Fit Center 226 is at 1.004491 3.857411 -0.153520 ESP Fit Center 227 is at 0.680013 4.125842 -0.153520 ESP Fit Center 228 is at 0.298972 4.305146 -0.153520 ESP Fit Center 229 is at -0.114688 4.384056 -0.153520 ESP Fit Center 230 is at -0.534977 4.357614 -0.153520 ESP Fit Center 231 is at -0.935485 4.227481 -0.153520 ESP Fit Center 232 is at 1.185171 3.518749 -0.588336 ESP Fit Center 233 is at 0.927285 3.854833 -0.588336 ESP Fit Center 234 is at 0.591202 4.112719 -0.588336 ESP Fit Center 235 is at 0.199824 4.274833 -0.588336 ESP Fit Center 236 is at -0.220176 4.330127 -0.588336 ESP Fit Center 237 is at -0.640176 4.274833 -0.588336 ESP Fit Center 238 is at 0.981937 3.526959 -0.993520 ESP Fit Center 239 is at 0.686953 3.844876 -0.993520 ESP Fit Center 240 is at 0.311367 4.061721 -0.993520 ESP Fit Center 241 is at -0.111450 4.158226 -0.993520 ESP Fit Center 242 is at 0.657722 3.507681 -1.341460 ESP Fit Center 243 is at 2.334410 1.221241 -1.593649 ESP Fit Center 244 is at 1.226339 2.401217 -1.593649 ESP Fit Center 245 is at 2.329946 0.803442 -2.028465 ESP Fit Center 246 is at 2.274652 1.223442 -2.028465 ESP Fit Center 247 is at 2.112538 1.614819 -2.028465 ESP Fit Center 248 is at 1.854652 1.950903 -2.028465 ESP Fit Center 249 is at 1.518568 2.208789 -2.028465 ESP Fit Center 250 is at 1.127190 2.370903 -2.028465 ESP Fit Center 251 is at 2.162113 0.803442 -2.433649 ESP Fit Center 252 is at 2.097475 1.232288 -2.433649 ESP Fit Center 253 is at 1.909304 1.623029 -2.433649 ESP Fit Center 254 is at 1.614320 1.940946 -2.433649 ESP Fit Center 255 is at 1.238733 2.157791 -2.433649 ESP Fit Center 256 is at 0.815917 2.254296 -2.433649 ESP Fit Center 257 is at 2.097475 0.374596 -2.433649 ESP Fit Center 258 is at 1.895130 0.803442 -2.781588 ESP Fit Center 259 is at 1.814911 1.232575 -2.781588 ESP Fit Center 260 is at 1.585088 1.603751 -2.781588 ESP Fit Center 261 is at 1.236700 1.866841 -2.781588 ESP Fit Center 262 is at 0.816800 1.986313 -2.781588 ESP Fit Center 263 is at 0.382095 1.946032 -2.781588 ESP Fit Center 264 is at 0.382095 -0.339149 -2.781588 ESP Fit Center 265 is at 0.816800 -0.379430 -2.781588 ESP Fit Center 266 is at 1.814911 0.374308 -2.781588 ESP Fit Center 267 is at 1.547190 0.803442 -3.048572 ESP Fit Center 268 is at 1.434652 1.223442 -3.048572 ESP Fit Center 269 is at 1.127190 1.530903 -3.048572 ESP Fit Center 270 is at 0.707190 1.643442 -3.048572 ESP Fit Center 271 is at 0.287190 1.530903 -3.048572 ESP Fit Center 272 is at 0.287190 0.075980 -3.048572 ESP Fit Center 273 is at 0.707190 -0.036558 -3.048572 ESP Fit Center 274 is at 1.127190 0.075980 -3.048572 ESP Fit Center 275 is at 1.434652 0.383442 -3.048572 ESP Fit Center 276 is at 1.142006 0.803442 -3.216404 ESP Fit Center 277 is at 0.924598 1.180003 -3.216404 ESP Fit Center 278 is at 0.489782 1.180003 -3.216404 ESP Fit Center 279 is at 0.272374 0.803442 -3.216404 ESP Fit Center 280 is at 0.489782 0.426880 -3.216404 ESP Fit Center 281 is at 0.924598 0.426880 -3.216404 ESP Fit Center 282 is at 0.707190 0.803442 -3.273649 ESP Fit Center 283 is at -2.329906 0.985464 -2.222790 ESP Fit Center 284 is at -2.492019 0.594087 -2.222790 ESP Fit Center 285 is at -2.072019 -0.973375 -2.222790 ESP Fit Center 286 is at -1.735936 -1.231261 -2.222790 ESP Fit Center 287 is at -1.991092 1.163685 -2.627974 ESP Fit Center 288 is at -2.235398 0.805354 -2.627974 ESP Fit Center 289 is at -2.363231 0.390932 -2.627974 ESP Fit Center 290 is at -2.363231 -0.042758 -2.627974 ESP Fit Center 291 is at -2.235398 -0.457181 -2.627974 ESP Fit Center 292 is at -1.991092 -0.815512 -2.627974 ESP Fit Center 293 is at -1.652019 -1.085913 -2.627974 ESP Fit Center 294 is at -1.248309 -1.244358 -2.627974 ESP Fit Center 295 is at -0.815832 -1.276768 -2.627974 ESP Fit Center 296 is at -0.393015 -1.180263 -2.627974 ESP Fit Center 297 is at -0.017429 -0.963418 -2.627974 ESP Fit Center 298 is at 0.277555 -0.645501 -2.627974 ESP Fit Center 299 is at -0.814949 1.356958 -2.975913 ESP Fit Center 300 is at -1.249653 1.316677 -2.975913 ESP Fit Center 301 is at -1.640452 1.122083 -2.975913 ESP Fit Center 302 is at -1.934565 0.799456 -2.975913 ESP Fit Center 303 is at -2.092271 0.392370 -2.975913 ESP Fit Center 304 is at -2.092271 -0.044197 -2.975913 ESP Fit Center 305 is at -1.934565 -0.451283 -2.975913 ESP Fit Center 306 is at -1.640452 -0.773909 -2.975913 ESP Fit Center 307 is at -1.249653 -0.968504 -2.975913 ESP Fit Center 308 is at -0.814949 -1.008785 -2.975913 ESP Fit Center 309 is at -0.395048 -0.889313 -2.975913 ESP Fit Center 310 is at -0.046660 -0.626223 -2.975913 ESP Fit Center 311 is at 0.183162 -0.255047 -2.975913 ESP Fit Center 312 is at -0.084558 0.174087 -3.242897 ESP Fit Center 313 is at -0.197097 0.594087 -3.242897 ESP Fit Center 314 is at -0.504558 0.901548 -3.242897 ESP Fit Center 315 is at -0.924558 1.014087 -3.242897 ESP Fit Center 316 is at -1.344558 0.901548 -3.242897 ESP Fit Center 317 is at -1.652019 0.594087 -3.242897 ESP Fit Center 318 is at -1.764558 0.174087 -3.242897 ESP Fit Center 319 is at -1.652019 -0.245913 -3.242897 ESP Fit Center 320 is at -1.344558 -0.553375 -3.242897 ESP Fit Center 321 is at -0.924558 -0.665913 -3.242897 ESP Fit Center 322 is at -0.504558 -0.553375 -3.242897 ESP Fit Center 323 is at -0.197097 -0.245913 -3.242897 ESP Fit Center 324 is at -0.489742 0.174087 -3.410729 ESP Fit Center 325 is at -0.707150 0.550648 -3.410729 ESP Fit Center 326 is at -1.141966 0.550648 -3.410729 ESP Fit Center 327 is at -1.359374 0.174087 -3.410729 ESP Fit Center 328 is at -1.141966 -0.202475 -3.410729 ESP Fit Center 329 is at -0.707150 -0.202475 -3.410729 ESP Fit Center 330 is at -0.924558 0.174087 -3.467974 ESP Fit Center 331 is at -0.977888 0.452472 2.886016 ESP Fit Center 332 is at -2.075674 0.158321 2.886016 ESP Fit Center 333 is at -2.526538 -0.029117 2.691955 ESP Fit Center 334 is at -2.864630 -0.243497 2.430794 ESP Fit Center 335 is at -2.804480 -0.661848 2.430794 ESP Fit Center 336 is at -2.797904 -2.293397 1.665383 ESP Fit Center 337 is at -2.375251 -2.293397 1.665383 ESP Fit Center 338 is at -3.205748 -2.456206 1.347157 ESP Fit Center 339 is at -2.797045 -2.556942 1.347157 ESP Fit Center 340 is at -3.493635 1.025575 0.590149 ESP Fit Center 341 is at -3.847301 0.805133 0.590149 ESP Fit Center 342 is at -3.847301 -2.452308 0.590149 ESP Fit Center 343 is at -3.753275 0.922499 0.180459 ESP Fit Center 344 is at -4.071502 0.661337 0.180459 ESP Fit Center 345 is at -4.071502 -2.308511 0.180459 ESP Fit Center 346 is at -4.387425 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734 is at 1.073898 -2.221377 2.132174 ESP Fit Center 735 is at -0.493563 -2.641377 2.132174 ESP Fit Center 736 is at -0.186102 -2.948838 2.132174 ESP Fit Center 737 is at 0.233898 -3.061377 2.132174 ESP Fit Center 738 is at 0.653898 -2.948838 2.132174 ESP Fit Center 739 is at 0.961360 -2.641377 2.132174 ESP Fit Center 740 is at 1.421838 -2.221377 1.865190 ESP Fit Center 741 is at -0.776108 -2.846746 1.865190 ESP Fit Center 742 is at -0.481995 -3.169373 1.865190 ESP Fit Center 743 is at -0.091197 -3.363967 1.865190 ESP Fit Center 744 is at 0.343508 -3.404249 1.865190 ESP Fit Center 745 is at 0.763408 -3.284776 1.865190 ESP Fit Center 746 is at 1.111796 -3.021686 1.865190 ESP Fit Center 747 is at 1.341619 -2.650510 1.865190 ESP Fit Center 748 is at 1.688821 -2.221377 1.517251 ESP Fit Center 749 is at -1.076942 -2.852644 1.517251 ESP Fit Center 750 is at -0.832635 -3.210975 1.517251 ESP Fit Center 751 is at -0.493563 -3.481377 1.517251 ESP Fit Center 752 is at -0.089852 -3.639821 1.517251 ESP Fit Center 753 is at 0.342625 -3.672231 1.517251 ESP Fit Center 754 is at 0.765441 -3.575726 1.517251 ESP Fit Center 755 is at 1.141028 -3.358881 1.517251 ESP Fit Center 756 is at 1.436012 -3.040964 1.517251 ESP Fit Center 757 is at 1.624183 -2.650223 1.517251 ESP Fit Center 758 is at -1.333563 -2.641377 1.112067 ESP Fit Center 759 is at -1.171449 -3.032754 1.112067 ESP Fit Center 760 is at -0.913563 -3.368838 1.112067 ESP Fit Center 761 is at -0.577479 -3.626724 1.112067 ESP Fit Center 762 is at -0.186102 -3.788838 1.112067 ESP Fit Center 763 is at 0.233898 -3.844132 1.112067 ESP Fit Center 764 is at 0.653898 -3.788838 1.112067 ESP Fit Center 765 is at 1.045276 -3.626724 1.112067 ESP Fit Center 766 is at 1.381360 -3.368838 1.112067 ESP Fit Center 767 is at 1.639246 -3.032754 1.112067 ESP Fit Center 768 is at -1.125250 -3.208856 0.677251 ESP Fit Center 769 is at -0.836974 -3.515839 0.677251 ESP Fit Center 770 is at -0.481411 -3.741486 0.677251 ESP Fit Center 771 is at -0.080902 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790 is at 3.513374 -1.128696 -2.112786 ESP Fit Center 791 is at 3.458080 -0.708696 -2.112786 ESP Fit Center 792 is at 3.295966 -0.317318 -2.112786 ESP Fit Center 793 is at 3.038080 0.018766 -2.112786 ESP Fit Center 794 is at 2.701996 0.276652 -2.112786 ESP Fit Center 795 is at 2.310619 0.438766 -2.112786 ESP Fit Center 796 is at 3.458080 -1.548696 -2.112786 ESP Fit Center 797 is at 3.345541 -1.128696 -2.517970 ESP Fit Center 798 is at 3.280903 -0.699850 -2.517970 ESP Fit Center 799 is at 3.092732 -0.309108 -2.517970 ESP Fit Center 800 is at 2.797748 0.008809 -2.517970 ESP Fit Center 801 is at 2.422162 0.225654 -2.517970 ESP Fit Center 802 is at 0.451946 -0.911851 -2.517970 ESP Fit Center 803 is at 0.451946 -1.345541 -2.517970 ESP Fit Center 804 is at 2.797748 -2.266200 -2.517970 ESP Fit Center 805 is at 3.092732 -1.948283 -2.517970 ESP Fit Center 806 is at 3.280903 -1.557542 -2.517970 ESP Fit Center 807 is at 3.078558 -1.128696 -2.865910 ESP Fit Center 808 is at 2.998339 -0.699562 -2.865910 ESP Fit Center 809 is at 2.768516 -0.328386 -2.865910 ESP Fit Center 810 is at 2.420129 -0.065296 -2.865910 ESP Fit Center 811 is at 2.000228 0.054176 -2.865910 ESP Fit Center 812 is at 1.565524 0.013895 -2.865910 ESP Fit Center 813 is at 0.880612 -0.503326 -2.865910 ESP Fit Center 814 is at 0.722906 -0.910412 -2.865910 ESP Fit Center 815 is at 0.722906 -1.346979 -2.865910 ESP Fit Center 816 is at 0.880612 -1.754065 -2.865910 ESP Fit Center 817 is at 1.174725 -2.076692 -2.865910 ESP Fit Center 818 is at 1.565524 -2.271286 -2.865910 ESP Fit Center 819 is at 2.000228 -2.311567 -2.865910 ESP Fit Center 820 is at 2.420129 -2.192095 -2.865910 ESP Fit Center 821 is at 2.768516 -1.929005 -2.865910 ESP Fit Center 822 is at 2.998339 -1.557829 -2.865910 ESP Fit Center 823 is at 2.730619 -1.128696 -3.132893 ESP Fit Center 824 is at 2.618080 -0.708696 -3.132893 ESP Fit Center 825 is at 2.310619 -0.401234 -3.132893 ESP Fit Center 826 is at 1.890619 -0.288696 -3.132893 ESP Fit Center 827 is at 1.470619 -0.401234 -3.132893 ESP Fit Center 828 is at 1.163157 -0.708696 -3.132893 ESP Fit Center 829 is at 1.050619 -1.128696 -3.132893 ESP Fit Center 830 is at 1.163157 -1.548696 -3.132893 ESP Fit Center 831 is at 1.470619 -1.856157 -3.132893 ESP Fit Center 832 is at 1.890619 -1.968696 -3.132893 ESP Fit Center 833 is at 2.310619 -1.856157 -3.132893 ESP Fit Center 834 is at 2.618080 -1.548696 -3.132893 ESP Fit Center 835 is at 2.325435 -1.128696 -3.300726 ESP Fit Center 836 is at 2.108027 -0.752134 -3.300726 ESP Fit Center 837 is at 1.673211 -0.752134 -3.300726 ESP Fit Center 838 is at 1.455803 -1.128696 -3.300726 ESP Fit Center 839 is at 1.673211 -1.505257 -3.300726 ESP Fit Center 840 is at 2.108027 -1.505257 -3.300726 ESP Fit Center 841 is at 1.890619 -1.128696 -3.357970 ESP Fit Center 842 is at 1.386644 -3.546487 0.361447 ESP Fit Center 843 is at 1.806644 -3.659025 0.361447 ESP Fit Center 844 is at 2.226644 -3.546487 0.361447 ESP Fit Center 845 is at 1.090751 -3.767021 0.094464 ESP Fit Center 846 is at 1.481549 -3.961616 0.094464 ESP Fit Center 847 is at 1.916253 -4.001897 0.094464 ESP Fit Center 848 is at 2.336154 -3.882425 0.094464 ESP Fit Center 849 is at 2.684542 -3.619335 0.094464 ESP Fit Center 850 is at 2.914364 -3.248158 0.094464 ESP Fit Center 851 is at 0.740110 -3.808624 -0.253476 ESP Fit Center 852 is at 1.079183 -4.079025 -0.253476 ESP Fit Center 853 is at 1.482893 -4.237470 -0.253476 ESP Fit Center 854 is at 1.915370 -4.269880 -0.253476 ESP Fit Center 855 is at 2.338187 -4.173375 -0.253476 ESP Fit Center 856 is at 2.713773 -3.956530 -0.253476 ESP Fit Center 857 is at 3.008758 -3.638612 -0.253476 ESP Fit Center 858 is at 3.196929 -3.247871 -0.253476 ESP Fit Center 859 is at 0.401297 -3.630403 -0.658660 ESP Fit Center 860 is at 0.659183 -3.966487 -0.658660 ESP Fit Center 861 is at 0.995266 -4.224373 -0.658660 ESP Fit Center 862 is at 1.386644 -4.386487 -0.658660 ESP Fit Center 863 is at 1.806644 -4.441781 -0.658660 ESP Fit Center 864 is at 2.226644 -4.386487 -0.658660 ESP Fit Center 865 is at 2.618022 -4.224373 -0.658660 ESP Fit Center 866 is at 2.954105 -3.966487 -0.658660 ESP Fit Center 867 is at 3.211991 -3.630403 -0.658660 ESP Fit Center 868 is at 3.374105 -3.239025 -0.658660 ESP Fit Center 869 is at 0.447495 -3.806504 -1.093476 ESP Fit Center 870 is at 0.735772 -4.113488 -1.093476 ESP Fit Center 871 is at 1.091335 -4.339135 -1.093476 ESP Fit Center 872 is at 1.491843 -4.469268 -1.093476 ESP Fit Center 873 is at 1.912132 -4.495710 -1.093476 ESP Fit Center 874 is at 2.325793 -4.416800 -1.093476 ESP Fit Center 875 is at 2.706833 -4.237496 -1.093476 ESP Fit Center 876 is at 3.031311 -3.969064 -1.093476 ESP Fit Center 877 is at 3.278839 -3.628371 -1.093476 ESP Fit Center 878 is at 3.433864 -3.236824 -1.093476 ESP Fit Center 879 is at 3.429399 -2.819025 -1.528292 ESP Fit Center 880 is at 0.401297 -3.630403 -1.528292 ESP Fit Center 881 is at 0.659183 -3.966487 -1.528292 ESP Fit Center 882 is at 0.995266 -4.224373 -1.528292 ESP Fit Center 883 is at 1.386644 -4.386487 -1.528292 ESP Fit Center 884 is at 1.806644 -4.441781 -1.528292 ESP Fit Center 885 is at 2.226644 -4.386487 -1.528292 ESP Fit Center 886 is at 2.618022 -4.224373 -1.528292 ESP Fit Center 887 is at 2.954105 -3.966487 -1.528292 ESP Fit Center 888 is at 3.211991 -3.630403 -1.528292 ESP Fit Center 889 is at 3.374105 -3.239025 -1.528292 ESP Fit Center 890 is at 3.261567 -2.819025 -1.933476 ESP Fit Center 891 is at 0.495804 -3.450293 -1.933476 ESP Fit Center 892 is at 0.740110 -3.808624 -1.933476 ESP Fit Center 893 is at 1.079183 -4.079025 -1.933476 ESP Fit Center 894 is at 1.482893 -4.237470 -1.933476 ESP Fit Center 895 is at 1.915370 -4.269880 -1.933476 ESP Fit Center 896 is at 2.338187 -4.173375 -1.933476 ESP Fit Center 897 is at 2.713773 -3.956530 -1.933476 ESP Fit Center 898 is at 3.008758 -3.638612 -1.933476 ESP Fit Center 899 is at 3.196929 -3.247871 -1.933476 ESP Fit Center 900 is at 2.994583 -2.819025 -2.281415 ESP Fit Center 901 is at 0.638932 -3.037309 -2.281415 ESP Fit Center 902 is at 0.796638 -3.444395 -2.281415 ESP Fit Center 903 is at 1.090751 -3.767021 -2.281415 ESP Fit Center 904 is at 1.481549 -3.961616 -2.281415 ESP Fit Center 905 is at 1.916253 -4.001897 -2.281415 ESP Fit Center 906 is at 2.336154 -3.882425 -2.281415 ESP Fit Center 907 is at 2.684542 -3.619335 -2.281415 ESP Fit Center 908 is at 2.914364 -3.248158 -2.281415 ESP Fit Center 909 is at 2.646644 -2.819025 -2.548398 ESP Fit Center 910 is at 0.966644 -2.819025 -2.548398 ESP Fit Center 911 is at 1.079183 -3.239025 -2.548398 ESP Fit Center 912 is at 1.386644 -3.546487 -2.548398 ESP Fit Center 913 is at 1.806644 -3.659025 -2.548398 ESP Fit Center 914 is at 2.226644 -3.546487 -2.548398 ESP Fit Center 915 is at 2.534105 -3.239025 -2.548398 ESP Fit Center 916 is at 2.241460 -2.819025 -2.716231 ESP Fit Center 917 is at 1.371828 -2.819025 -2.716231 ESP Fit Center 918 is at 1.589236 -3.195587 -2.716231 ESP Fit Center 919 is at 2.024052 -3.195587 -2.716231 ESP Fit Center 920 is at 1.806644 -2.819025 -2.773476 ESP Fit Center 921 is at 2.486140 -1.602968 1.670035 ESP Fit Center 922 is at 2.920956 -1.602968 1.612791 ESP Fit Center 923 is at 2.703548 -1.226406 1.612791 ESP Fit Center 924 is at 2.268732 -1.979530 1.612791 ESP Fit Center 925 is at 2.703548 -1.979530 1.612791 ESP Fit Center 926 is at 3.326140 -1.602968 1.444958 ESP Fit Center 927 is at 3.213601 -1.182968 1.444958 ESP Fit Center 928 is at 2.906140 -0.875507 1.444958 ESP Fit Center 929 is at 1.758678 -2.022968 1.444958 ESP Fit Center 930 is at 2.066140 -2.330429 1.444958 ESP Fit Center 931 is at 2.486140 -2.442968 1.444958 ESP Fit Center 932 is at 2.906140 -2.330429 1.444958 ESP Fit Center 933 is at 3.213601 -2.022968 1.444958 ESP Fit Center 934 is at 3.674079 -1.602968 1.177975 ESP Fit Center 935 is at 3.593860 -1.173835 1.177975 ESP Fit Center 936 is at 3.364037 -0.802658 1.177975 ESP Fit Center 937 is at 2.161044 -2.745558 1.177975 ESP Fit Center 938 is at 2.595749 -2.785840 1.177975 ESP Fit Center 939 is at 3.015650 -2.666368 1.177975 ESP Fit Center 940 is at 3.364037 -2.403277 1.177975 ESP Fit Center 941 is at 3.593860 -2.032101 1.177975 ESP Fit Center 942 is at 3.941062 -1.602968 0.830035 ESP Fit Center 943 is at 3.876424 -1.174122 0.830035 ESP Fit Center 944 is at 3.688253 -0.783381 0.830035 ESP Fit Center 945 is at 2.594866 -3.053822 0.830035 ESP Fit Center 946 is at 3.017682 -2.957317 0.830035 ESP Fit Center 947 is at 3.393269 -2.740472 0.830035 ESP Fit Center 948 is at 3.688253 -2.422555 0.830035 ESP Fit Center 949 is at 3.876424 -2.031814 0.830035 ESP Fit Center 950 is at 4.108895 -1.602968 0.424851 ESP Fit Center 951 is at 4.053601 -1.182968 0.424851 ESP Fit Center 952 is at 3.891487 -0.791590 0.424851 ESP Fit Center 953 is at 2.906140 -3.170429 0.424851 ESP Fit Center 954 is at 3.297517 -3.008315 0.424851 ESP Fit Center 955 is at 3.633601 -2.750429 0.424851 ESP Fit Center 956 is at 3.891487 -2.414346 0.424851 ESP Fit Center 957 is at 4.053601 -2.022968 0.424851 ESP Fit Center 958 is at 4.166140 -1.602968 -0.009965 ESP Fit Center 959 is at 4.113359 -1.185169 -0.009965 ESP Fit Center 960 is at 3.958335 -0.793622 -0.009965 ESP Fit Center 961 is at 3.386329 -3.021439 -0.009965 ESP Fit Center 962 is at 3.710807 -2.753007 -0.009965 ESP Fit Center 963 is at 3.958335 -2.412314 -0.009965 ESP Fit Center 964 is at 4.113359 -2.020767 -0.009965 ESP Fit Center 965 is at 4.108895 -1.602968 -0.444781 ESP Fit Center 966 is at 4.053601 -1.182968 -0.444781 ESP Fit Center 967 is at 3.891487 -0.791590 -0.444781 ESP Fit Center 968 is at 3.633601 -2.750429 -0.444781 ESP Fit Center 969 is at 3.891487 -2.414346 -0.444781 ESP Fit Center 970 is at 4.053601 -2.022968 -0.444781 ESP Fit Center 971 is at 3.941062 -1.602968 -0.849965 ESP Fit Center 972 is at 3.876424 -1.174122 -0.849965 ESP Fit Center 973 is at 3.688253 -0.783381 -0.849965 ESP Fit Center 974 is at 3.876424 -2.031814 -0.849965 ESP Fit Center 975 is at 1.114825 0.829889 3.199314 ESP Fit Center 976 is at 1.605949 0.876905 3.079812 ESP Fit Center 977 is at 1.997893 0.896548 2.885752 ESP Fit Center 978 is at 1.772180 1.261087 2.885752 ESP Fit Center 979 is at -0.236852 0.260708 2.885752 ESP Fit Center 980 is at 3.149270 0.020459 2.033949 ESP Fit Center 981 is at 1.557681 2.775309 1.715722 ESP Fit Center 982 is at 3.168741 -0.294311 1.715722 ESP Fit Center 983 is at 3.483816 -0.015180 1.715722 ESP Fit Center 984 is at 1.862971 3.057278 1.352660 ESP Fit Center 985 is at 1.458729 2.945041 1.352660 ESP Fit Center 986 is at 3.085633 -0.571454 1.352660 ESP Fit Center 987 is at 3.432876 -0.336017 1.352660 ESP Fit Center 988 is at 3.721389 -0.031437 1.352660 ESP Fit Center 989 is at 4.276851 1.142690 0.549024 ESP Fit Center 990 is at 3.343549 2.888776 0.549024 ESP Fit Center 991 is at 4.194339 1.557294 0.139335 ESP Fit Center 992 is at 4.069582 1.954924 0.139335 ESP Fit Center 993 is at 3.867336 2.319302 0.139335 ESP Fit Center 994 is at 3.595881 2.635508 0.139335 ESP Fit Center 995 is at 3.937681 1.957336 -0.254611 ESP Fit Center 996 is at 3.721389 2.316817 -0.254611 ESP Fit Center 997 is at 3.722934 1.954136 -0.617673 ESP Fit Center 998 is at 3.426049 1.945500 -0.935900 ESP Fit Center 999 is at 1.223166 -0.285284 3.570560 ESP Fit Center 1000 is at 1.657982 -0.285284 3.513316 ESP Fit Center 1001 is at 1.440574 0.091277 3.513316 ESP Fit Center 1002 is at 1.005758 0.091277 3.513316 ESP Fit Center 1003 is at 0.788350 -0.285284 3.513316 ESP Fit Center 1004 is at 1.005758 -0.661846 3.513316 ESP Fit Center 1005 is at 1.440574 -0.661846 3.513316 ESP Fit Center 1006 is at 2.063166 -0.285284 3.345483 ESP Fit Center 1007 is at 1.950627 0.134716 3.345483 ESP Fit Center 1008 is at 1.643166 0.442177 3.345483 ESP Fit Center 1009 is at 1.223166 0.554716 3.345483 ESP Fit Center 1010 is at 0.803166 0.442177 3.345483 ESP Fit Center 1011 is at 0.495705 0.134716 3.345483 ESP Fit Center 1012 is at 0.383166 -0.285284 3.345483 ESP Fit Center 1013 is at 0.495705 -0.705284 3.345483 ESP Fit Center 1014 is at 0.803166 -1.012746 3.345483 ESP Fit Center 1015 is at 1.223166 -1.125284 3.345483 ESP Fit Center 1016 is at 1.643166 -1.012746 3.345483 ESP Fit Center 1017 is at 1.950627 -0.705284 3.345483 ESP Fit Center 1018 is at 2.411106 -0.285284 3.078500 ESP Fit Center 1019 is at 2.330887 0.143849 3.078500 ESP Fit Center 1020 is at 2.101064 0.515025 3.078500 ESP Fit Center 1021 is at 1.752676 0.778115 3.078500 ESP Fit Center 1022 is at 0.055454 -0.067001 3.078500 ESP Fit Center 1023 is at 0.055454 -0.503568 3.078500 ESP Fit Center 1024 is at 0.213160 -0.910654 3.078500 ESP Fit Center 1025 is at 0.507273 -1.233281 3.078500 ESP Fit Center 1026 is at 0.898071 -1.427875 3.078500 ESP Fit Center 1027 is at 1.332775 -1.468156 3.078500 ESP Fit Center 1028 is at 1.752676 -1.348684 3.078500 ESP Fit Center 1029 is at 2.101064 -1.085594 3.078500 ESP Fit Center 1030 is at 2.330887 -0.714418 3.078500 ESP Fit Center 1031 is at 2.678089 -0.285284 2.730560 ESP Fit Center 1032 is at 2.613451 0.143562 2.730560 ESP Fit Center 1033 is at 2.425280 0.534303 2.730560 ESP Fit Center 1034 is at 0.156632 -1.274883 2.730560 ESP Fit Center 1035 is at 0.495705 -1.545284 2.730560 ESP Fit Center 1036 is at 0.899415 -1.703729 2.730560 ESP Fit Center 1037 is at 1.331893 -1.736139 2.730560 ESP Fit Center 1038 is at 1.754709 -1.639634 2.730560 ESP Fit Center 1039 is at 2.130296 -1.422789 2.730560 ESP Fit Center 1040 is at 2.425280 -1.104872 2.730560 ESP Fit Center 1041 is at 2.613451 -0.714130 2.730560 ESP Fit Center 1042 is at 2.845922 -0.285284 2.325376 ESP Fit Center 1043 is at 2.790627 0.134716 2.325376 ESP Fit Center 1044 is at 0.411788 -1.690632 2.325376 ESP Fit Center 1045 is at 0.803166 -1.852746 2.325376 ESP Fit Center 1046 is at 1.223166 -1.908040 2.325376 ESP Fit Center 1047 is at 1.643166 -1.852746 2.325376 ESP Fit Center 1048 is at 2.034544 -1.690632 2.325376 ESP Fit Center 1049 is at 2.370627 -1.432746 2.325376 ESP Fit Center 1050 is at 2.628514 -1.096662 2.325376 ESP Fit Center 1051 is at 2.790627 -0.705284 2.325376 ESP Fit Center 1052 is at 1.742315 -1.883059 1.890560 ESP Fit Center 1053 is at 2.123355 -1.703755 1.890560 ESP Fit Center 1054 is at 2.447833 -1.435324 1.890560 ESP Fit Center 1055 is at 2.695361 -1.094631 1.890560 ESP Fit Center 1056 is at 2.850386 -0.703083 1.890560 ESP Fit Center 1057 is at 2.790627 -0.705284 1.455744 ESP Fit Center 1058 is at 0.431421 1.298091 3.398364 ESP Fit Center 1059 is at 0.866237 1.298091 3.341119 ESP Fit Center 1060 is at 0.648829 1.674652 3.341119 ESP Fit Center 1061 is at 0.214013 1.674652 3.341119 ESP Fit Center 1062 is at -0.003395 1.298091 3.341119 ESP Fit Center 1063 is at 0.214013 0.921529 3.341119 ESP Fit Center 1064 is at 0.648829 0.921529 3.341119 ESP Fit Center 1065 is at 1.271421 1.298091 3.173286 ESP Fit Center 1066 is at 1.158882 1.718091 3.173286 ESP Fit Center 1067 is at 0.851421 2.025552 3.173286 ESP Fit Center 1068 is at 0.431421 2.138091 3.173286 ESP Fit Center 1069 is at 0.011421 2.025552 3.173286 ESP Fit Center 1070 is at -0.296041 1.718091 3.173286 ESP Fit Center 1071 is at -0.408579 1.298091 3.173286 ESP Fit Center 1072 is at -0.296041 0.878091 3.173286 ESP Fit Center 1073 is at 0.011421 0.570629 3.173286 ESP Fit Center 1074 is at 1.539141 1.727224 2.906303 ESP Fit Center 1075 is at 1.309319 2.098400 2.906303 ESP Fit Center 1076 is at 0.960931 2.361490 2.906303 ESP Fit Center 1077 is at 0.541030 2.480962 2.906303 ESP Fit Center 1078 is at 0.106326 2.440681 2.906303 ESP Fit Center 1079 is at -0.284473 2.246087 2.906303 ESP Fit Center 1080 is at -0.578586 1.923460 2.906303 ESP Fit Center 1081 is at -0.736292 1.516374 2.906303 ESP Fit Center 1082 is at -0.736292 1.079807 2.906303 ESP Fit Center 1083 is at -0.578586 0.672721 2.906303 ESP Fit Center 1084 is at -0.284473 0.350094 2.906303 ESP Fit Center 1085 is at 1.633534 2.117678 2.558364 ESP Fit Center 1086 is at 1.338550 2.435595 2.558364 ESP Fit Center 1087 is at 0.962964 2.652440 2.558364 ESP Fit Center 1088 is at 0.540147 2.748945 2.558364 ESP Fit Center 1089 is at 0.107670 2.716535 2.558364 ESP Fit Center 1090 is at -0.296041 2.558091 2.558364 ESP Fit Center 1091 is at -0.635113 2.287689 2.558364 ESP Fit Center 1092 is at -0.879419 1.929358 2.558364 ESP Fit Center 1093 is at 1.578882 2.445552 2.153180 ESP Fit Center 1094 is at 1.242798 2.703438 2.153180 ESP Fit Center 1095 is at 0.851421 2.865552 2.153180 ESP Fit Center 1096 is at 0.431421 2.920846 2.153180 ESP Fit Center 1097 is at 0.011421 2.865552 2.153180 ESP Fit Center 1098 is at -0.379957 2.703438 2.153180 ESP Fit Center 1099 is at -0.716041 2.445552 2.153180 ESP Fit Center 1100 is at -0.973927 2.109468 2.153180 ESP Fit Center 1101 is at 1.331610 2.716561 1.718364 ESP Fit Center 1102 is at 0.950569 2.895866 1.718364 ESP Fit Center 1103 is at 0.536909 2.974775 1.718364 ESP Fit Center 1104 is at 0.116620 2.948333 1.718364 ESP Fit Center 1105 is at -0.283888 2.818200 1.718364 ESP Fit Center 1106 is at -0.639452 2.592553 1.718364 ESP Fit Center 1107 is at -0.927728 2.285570 1.718364 ESP Fit Center 1108 is at 0.851421 2.865552 1.283548 ESP Fit Center 1109 is at 3.355230 -0.585510 1.149029 ESP Fit Center 1110 is at 3.703617 -0.322420 1.149029 ESP Fit Center 1111 is at 3.933440 0.048757 1.149029 ESP Fit Center 1112 is at 4.280642 0.477890 0.801090 ESP Fit Center 1113 is at 3.732849 -0.659614 0.801090 ESP Fit Center 1114 is at 4.027833 -0.341697 0.801090 ESP Fit Center 1115 is at 4.216004 0.049044 0.801090 ESP Fit Center 1116 is at 4.448475 0.477890 0.395906 ESP Fit Center 1117 is at 4.393181 0.897890 0.395906 ESP Fit Center 1118 is at 3.973181 -0.669571 0.395906 ESP Fit Center 1119 is at 4.231067 -0.333488 0.395906 ESP Fit Center 1120 is at 4.393181 0.057890 0.395906 ESP Fit Center 1121 is at 4.505720 0.477890 -0.038910 ESP Fit Center 1122 is at 4.452939 0.895689 -0.038910 ESP Fit Center 1123 is at 4.297915 1.287236 -0.038910 ESP Fit Center 1124 is at 4.050387 -0.672149 -0.038910 ESP Fit Center 1125 is at 4.297915 -0.331456 -0.038910 ESP Fit Center 1126 is at 4.452939 0.060091 -0.038910 ESP Fit Center 1127 is at 4.448475 0.477890 -0.473726 ESP Fit Center 1128 is at 4.393181 0.897890 -0.473726 ESP Fit Center 1129 is at 4.231067 1.289268 -0.473726 ESP Fit Center 1130 is at 3.973181 1.625351 -0.473726 ESP Fit Center 1131 is at 3.973181 -0.669571 -0.473726 ESP Fit Center 1132 is at 4.231067 -0.333488 -0.473726 ESP Fit Center 1133 is at 4.393181 0.057890 -0.473726 ESP Fit Center 1134 is at 4.280642 0.477890 -0.878910 ESP Fit Center 1135 is at 4.216004 0.906736 -0.878910 ESP Fit Center 1136 is at 4.027833 1.297477 -0.878910 ESP Fit Center 1137 is at 3.732849 1.615394 -0.878910 ESP Fit Center 1138 is at 3.732849 -0.659614 -0.878910 ESP Fit Center 1139 is at 4.027833 -0.341697 -0.878910 ESP Fit Center 1140 is at 4.216004 0.049044 -0.878910 ESP Fit Center 1141 is at 4.013659 0.477890 -1.226850 ESP Fit Center 1142 is at 3.933440 0.907023 -1.226850 ESP Fit Center 1143 is at 3.703617 1.278200 -1.226850 ESP Fit Center 1144 is at 3.355230 1.541290 -1.226850 ESP Fit Center 1145 is at 3.703617 -0.322420 -1.226850 ESP Fit Center 1146 is at 3.933440 0.048757 -1.226850 ESP Fit Center 1147 is at 3.665720 0.477890 -1.493833 ESP Fit Center 1148 is at 3.553181 0.897890 -1.493833 ESP Fit Center 1149 is at 3.245720 1.205351 -1.493833 ESP Fit Center 1150 is at 2.825720 1.317890 -1.493833 ESP Fit Center 1151 is at 3.553181 0.057890 -1.493833 ESP Fit Center 1152 is at 3.260536 0.477890 -1.661666 ESP Fit Center 1153 is at 3.043128 0.854452 -1.661666 ESP Fit Center 1154 is at 2.608312 0.854452 -1.661666 ESP Fit Center 1155 is at 2.390904 0.477890 -1.661666 ESP Fit Center 1156 is at 3.043128 0.101328 -1.661666 ESP Fit Center 1157 is at 2.825720 0.477890 -1.718910 ESP Fit Center 1158 is at 2.792362 1.531544 3.067671 ESP Fit Center 1159 is at 3.227178 1.531544 3.010426 ESP Fit Center 1160 is at 3.009770 1.908106 3.010426 ESP Fit Center 1161 is at 2.574954 1.908106 3.010426 ESP Fit Center 1162 is at 2.357546 1.531544 3.010426 ESP Fit Center 1163 is at 2.574954 1.154983 3.010426 ESP Fit Center 1164 is at 3.009770 1.154983 3.010426 ESP Fit Center 1165 is at 3.632362 1.531544 2.842594 ESP Fit Center 1166 is at 3.519823 1.951544 2.842594 ESP Fit Center 1167 is at 3.212362 2.259006 2.842594 ESP Fit Center 1168 is at 2.792362 2.371544 2.842594 ESP Fit Center 1169 is at 2.372362 2.259006 2.842594 ESP Fit Center 1170 is at 2.064901 1.951544 2.842594 ESP Fit Center 1171 is at 1.952362 1.531544 2.842594 ESP Fit Center 1172 is at 2.064901 1.111544 2.842594 ESP Fit Center 1173 is at 2.372362 0.804083 2.842594 ESP Fit Center 1174 is at 2.792362 0.691544 2.842594 ESP Fit Center 1175 is at 3.212362 0.804083 2.842594 ESP Fit Center 1176 is at 3.519823 1.111544 2.842594 ESP Fit Center 1177 is at 3.980301 1.531544 2.575610 ESP Fit Center 1178 is at 3.900082 1.960678 2.575610 ESP Fit Center 1179 is at 3.670260 2.331854 2.575610 ESP Fit Center 1180 is at 3.321872 2.594944 2.575610 ESP Fit Center 1181 is at 2.901971 2.714416 2.575610 ESP Fit Center 1182 is at 2.467267 2.674135 2.575610 ESP Fit Center 1183 is at 2.076469 2.479540 2.575610 ESP Fit Center 1184 is at 1.782355 2.156914 2.575610 ESP Fit Center 1185 is at 2.901971 0.348673 2.575610 ESP Fit Center 1186 is at 3.321872 0.468145 2.575610 ESP Fit Center 1187 is at 3.670260 0.731235 2.575610 ESP Fit Center 1188 is at 3.900082 1.102411 2.575610 ESP Fit Center 1189 is at 4.247285 1.531544 2.227671 ESP Fit Center 1190 is at 4.182646 1.960390 2.227671 ESP Fit Center 1191 is at 3.994475 2.351132 2.227671 ESP Fit Center 1192 is at 3.699491 2.669049 2.227671 ESP Fit Center 1193 is at 3.323905 2.885894 2.227671 ESP Fit Center 1194 is at 2.901088 2.982399 2.227671 ESP Fit Center 1195 is at 2.468611 2.949989 2.227671 ESP Fit Center 1196 is at 2.064901 2.791544 2.227671 ESP Fit Center 1197 is at 1.725828 2.521143 2.227671 ESP Fit Center 1198 is at 2.901088 0.080690 2.227671 ESP Fit Center 1199 is at 3.323905 0.177195 2.227671 ESP Fit Center 1200 is at 3.699491 0.394040 2.227671 ESP Fit Center 1201 is at 3.994475 0.711957 2.227671 ESP Fit Center 1202 is at 4.182646 1.102698 2.227671 ESP Fit Center 1203 is at 4.415117 1.531544 1.822487 ESP Fit Center 1204 is at 4.359823 1.951544 1.822487 ESP Fit Center 1205 is at 4.197709 2.342922 1.822487 ESP Fit Center 1206 is at 3.939823 2.679006 1.822487 ESP Fit Center 1207 is at 3.603740 2.936892 1.822487 ESP Fit Center 1208 is at 3.212362 3.099006 1.822487 ESP Fit Center 1209 is at 2.792362 3.154300 1.822487 ESP Fit Center 1210 is at 2.372362 3.099006 1.822487 ESP Fit Center 1211 is at 1.980984 2.936892 1.822487 ESP Fit Center 1212 is at 3.603740 0.126197 1.822487 ESP Fit Center 1213 is at 3.939823 0.384083 1.822487 ESP Fit Center 1214 is at 4.197709 0.720167 1.822487 ESP Fit Center 1215 is at 4.359823 1.111544 1.822487 ESP Fit Center 1216 is at 4.472362 1.531544 1.387671 ESP Fit Center 1217 is at 4.419582 1.949343 1.387671 ESP Fit Center 1218 is at 4.264557 2.340891 1.387671 ESP Fit Center 1219 is at 4.017029 2.681584 1.387671 ESP Fit Center 1220 is at 3.692551 2.950015 1.387671 ESP Fit Center 1221 is at 3.311510 3.129319 1.387671 ESP Fit Center 1222 is at 2.897850 3.208229 1.387671 ESP Fit Center 1223 is at 2.477561 3.181787 1.387671 ESP Fit Center 1224 is at 4.017029 0.381505 1.387671 ESP Fit Center 1225 is at 4.264557 0.722198 1.387671 ESP Fit Center 1226 is at 4.419582 1.113745 1.387671 ESP Fit Center 1227 is at 4.415117 1.531544 0.952855 ESP Fit Center 1228 is at 4.359823 1.951544 0.952855 ESP Fit Center 1229 is at 4.197709 2.342922 0.952855 ESP Fit Center 1230 is at 3.939823 2.679006 0.952855 ESP Fit Center 1231 is at 3.603740 2.936892 0.952855 ESP Fit Center 1232 is at 3.212362 3.099006 0.952855 ESP Fit Center 1233 is at 2.792362 3.154300 0.952855 ESP Fit Center 1234 is at 4.197709 0.720167 0.952855 ESP Fit Center 1235 is at 4.359823 1.111544 0.952855 ESP Fit Center 1236 is at 4.247285 1.531544 0.547671 ESP Fit Center 1237 is at 4.182646 1.960390 0.547671 ESP Fit Center 1238 is at 3.994475 2.351132 0.547671 ESP Fit Center 1239 is at 3.699491 2.669049 0.547671 ESP Fit Center 1240 is at 2.039255 3.196414 1.100152 ESP Fit Center 1241 is at 1.604551 3.156133 1.100152 ESP Fit Center 1242 is at 1.213753 2.961538 1.100152 ESP Fit Center 1243 is at 2.836776 3.151047 0.752213 ESP Fit Center 1244 is at 2.461189 3.367891 0.752213 ESP Fit Center 1245 is at 2.038373 3.464397 0.752213 ESP Fit Center 1246 is at 1.605895 3.431987 0.752213 ESP Fit Center 1247 is at 1.202185 3.273542 0.752213 ESP Fit Center 1248 is at 3.077108 3.161003 0.347029 ESP Fit Center 1249 is at 2.741024 3.418890 0.347029 ESP Fit Center 1250 is at 2.349646 3.581003 0.347029 ESP Fit Center 1251 is at 1.929646 3.636298 0.347029 ESP Fit Center 1252 is at 1.509646 3.581003 0.347029 ESP Fit Center 1253 is at 3.401841 2.822888 -0.087787 ESP Fit Center 1254 is at 3.154314 3.163581 -0.087787 ESP Fit Center 1255 is at 2.829835 3.432013 -0.087787 ESP Fit Center 1256 is at 2.448795 3.611317 -0.087787 ESP Fit Center 1257 is at 2.035134 3.690227 -0.087787 ESP Fit Center 1258 is at 1.614846 3.663785 -0.087787 ESP Fit Center 1259 is at 3.497108 2.433542 -0.522603 ESP Fit Center 1260 is at 3.334994 2.824920 -0.522603 ESP Fit Center 1261 is at 3.077108 3.161003 -0.522603 ESP Fit Center 1262 is at 2.741024 3.418890 -0.522603 ESP Fit Center 1263 is at 2.349646 3.581003 -0.522603 ESP Fit Center 1264 is at 1.929646 3.636298 -0.522603 ESP Fit Center 1265 is at 1.509646 3.581003 -0.522603 ESP Fit Center 1266 is at 3.319931 2.442388 -0.927787 ESP Fit Center 1267 is at 3.131760 2.833129 -0.927787 ESP Fit Center 1268 is at 2.836776 3.151047 -0.927787 ESP Fit Center 1269 is at 2.461189 3.367891 -0.927787 ESP Fit Center 1270 is at 2.038373 3.464397 -0.927787 ESP Fit Center 1271 is at 1.605895 3.431987 -0.927787 ESP Fit Center 1272 is at 1.202185 3.273542 -0.927787 ESP Fit Center 1273 is at 3.117586 2.013542 -1.275727 ESP Fit Center 1274 is at 3.037367 2.442675 -1.275727 ESP Fit Center 1275 is at 2.807544 2.813852 -1.275727 ESP Fit Center 1276 is at 2.459156 3.076942 -1.275727 ESP Fit Center 1277 is at 2.039255 3.196414 -1.275727 ESP Fit Center 1278 is at 1.604551 3.156133 -1.275727 ESP Fit Center 1279 is at 1.213753 2.961538 -1.275727 ESP Fit Center 1280 is at 2.769646 2.013542 -1.542710 ESP Fit Center 1281 is at 2.657108 2.433542 -1.542710 ESP Fit Center 1282 is at 2.349646 2.741003 -1.542710 ESP Fit Center 1283 is at 1.929646 2.853542 -1.542710 ESP Fit Center 1284 is at 1.509646 2.741003 -1.542710 ESP Fit Center 1285 is at 1.202185 2.433542 -1.542710 ESP Fit Center 1286 is at 2.349646 1.286081 -1.542710 ESP Fit Center 1287 is at 2.657108 1.593542 -1.542710 ESP Fit Center 1288 is at 2.364462 2.013542 -1.710543 ESP Fit Center 1289 is at 2.147054 2.390104 -1.710543 ESP Fit Center 1290 is at 1.712238 2.390104 -1.710543 ESP Fit Center 1291 is at 1.929646 2.013542 -1.767787 ESP Fit Center 1292 is at -1.730452 3.362532 0.996358 ESP Fit Center 1293 is at -1.760066 3.694394 0.700541 ESP Fit Center 1294 is at -1.756155 3.968252 0.357851 ESP Fit Center 1295 is at -1.578437 4.233425 -0.021300 ESP Fit Center 1296 is at -1.968444 4.055314 -0.021300 ESP Fit Center 1297 is at -1.366749 4.406480 -0.425393 ESP Fit Center 1298 is at -1.769742 4.275539 -0.425393 ESP Fit Center 1299 is at -2.142879 4.074746 -0.425393 ESP Fit Center 1300 is at -0.840812 4.502200 -0.842149 ESP Fit Center 1301 is at -1.257568 4.465739 -0.842149 ESP Fit Center 1302 is at -1.661661 4.357462 -0.842149 ESP Fit Center 1303 is at -2.040812 4.180661 -0.842149 ESP Fit Center 1304 is at -2.383503 3.940707 -0.842149 ESP Fit Center 1305 is at -0.110439 4.350059 -1.258904 ESP Fit Center 1306 is at -0.523547 4.444348 -1.258904 ESP Fit Center 1307 is at -1.366749 4.406480 -1.258904 ESP Fit Center 1308 is at -1.769742 4.275539 -1.258904 ESP Fit Center 1309 is at -2.142879 4.074746 -1.258904 ESP Fit Center 1310 is at -2.474166 3.810554 -1.258904 ESP Fit Center 1311 is at 1.252901 2.940396 -1.662997 ESP Fit Center 1312 is at 1.056435 3.321487 -1.662997 ESP Fit Center 1313 is at 0.791398 3.658509 -1.662997 ESP Fit Center 1314 is at -2.613568 3.496311 -1.662997 ESP Fit Center 1315 is at 1.069205 2.921853 -2.042149 ESP Fit Center 1316 is at -2.823954 2.724415 -2.042149 ESP Fit Center 1317 is at -2.823954 1.479985 -2.042149 ESP Fit Center 1318 is at -2.666888 1.888762 -2.384839 ESP Fit Center 1319 is at -2.568444 1.473394 -2.384839 ESP Fit Center 1320 is at -2.255785 1.487591 -2.680655 ESP Fit Center 1321 is at 0.449765 -0.678453 -2.901245 ESP Fit Center 1322 is at 0.340027 -0.347951 -3.141199 ESP Fit Center 1323 is at -0.259973 1.512128 -3.318001 ESP Fit Center 1324 is at -0.670397 1.402155 -3.318001 ESP Fit Center 1325 is at -0.051595 1.052200 -3.426277 ESP Fit Center 1326 is at -1.876428 2.897680 1.279278 ESP Fit Center 1327 is at -2.292957 2.786072 1.279278 ESP Fit Center 1328 is at -2.597877 2.481152 1.279278 ESP Fit Center 1329 is at -2.084303 3.243537 1.050534 ESP Fit Center 1330 is at -2.474979 3.101343 1.050534 ESP Fit Center 1331 is at -2.793461 2.834105 1.050534 ESP Fit Center 1332 is at -3.001335 2.474056 1.050534 ESP Fit Center 1333 is at -3.073529 2.064624 1.050534 ESP Fit Center 1334 is at -2.090060 3.550461 0.746518 ESP Fit Center 1335 is at -2.500015 3.430087 0.746518 ESP Fit Center 1336 is at -2.859451 3.199092 0.746518 ESP Fit Center 1337 is at -3.139248 2.876188 0.746518 ESP Fit Center 1338 is at -3.316739 2.487537 0.746518 ESP Fit Center 1339 is at -3.377545 2.064624 0.746518 ESP Fit Center 1340 is at -3.316739 1.641710 0.746518 ESP Fit Center 1341 is at -2.084940 3.781871 0.382475 ESP Fit Center 1342 is at -2.489845 3.682071 0.382475 ESP Fit Center 1343 is at -2.859101 3.488271 0.382475 ESP Fit Center 1344 is at -3.171247 3.211733 0.382475 ESP Fit Center 1345 is at -3.408144 2.868530 0.382475 ESP Fit Center 1346 is at -3.556022 2.478606 0.382475 ESP Fit Center 1347 is at -3.606289 2.064624 0.382475 ESP Fit Center 1348 is at -3.556022 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ESP Fit Center 1385 is at -0.072057 4.316655 -1.390844 ESP Fit Center 1386 is at -0.467699 4.455096 -1.390844 ESP Fit Center 1387 is at -0.884228 4.502028 -1.390844 ESP Fit Center 1388 is at -1.300756 4.455096 -1.390844 ESP Fit Center 1389 is at -1.696398 4.316655 -1.390844 ESP Fit Center 1390 is at 0.644271 3.792101 -1.818085 ESP Fit Center 1391 is at 0.358754 4.093517 -1.818085 ESP Fit Center 1392 is at 0.015117 4.326509 -1.818085 ESP Fit Center 1393 is at -0.370573 4.480182 -1.818085 ESP Fit Center 1394 is at -0.780281 4.547350 -1.818085 ESP Fit Center 1395 is at -1.194849 4.524873 -1.818085 ESP Fit Center 1396 is at -1.594893 4.413801 -1.818085 ESP Fit Center 1397 is at -1.961707 4.219329 -1.818085 ESP Fit Center 1398 is at -2.278139 3.950549 -1.818085 ESP Fit Center 1399 is at -2.529393 3.620029 -1.818085 ESP Fit Center 1400 is at 0.940702 3.046694 -2.245325 ESP Fit Center 1401 is at 0.802261 3.442336 -2.245325 ESP Fit Center 1402 is at 0.579253 3.797253 -2.245325 ESP Fit Center 1403 is at 0.282859 4.093646 -2.245325 ESP Fit Center 1404 is at -0.072057 4.316655 -2.245325 ESP Fit Center 1405 is at -0.467699 4.455096 -2.245325 ESP Fit Center 1406 is at -0.884228 4.502028 -2.245325 ESP Fit Center 1407 is at -1.300756 4.455096 -2.245325 ESP Fit Center 1408 is at -1.696398 4.316655 -2.245325 ESP Fit Center 1409 is at -2.051314 4.093646 -2.245325 ESP Fit Center 1410 is at -2.347708 3.797253 -2.245325 ESP Fit Center 1411 is at -2.570717 3.442336 -2.245325 ESP Fit Center 1412 is at -2.709158 3.046694 -2.245325 ESP Fit Center 1413 is at -2.756089 2.630166 -2.245325 ESP Fit Center 1414 is at 0.845633 2.630166 -2.651141 ESP Fit Center 1415 is at 0.795366 3.044149 -2.651141 ESP Fit Center 1416 is at 0.647488 3.434072 -2.651141 ESP Fit Center 1417 is at 0.410591 3.777276 -2.651141 ESP Fit Center 1418 is at 0.098445 4.053813 -2.651141 ESP Fit Center 1419 is at -0.270811 4.247614 -2.651141 ESP Fit Center 1420 is at -0.675716 4.347414 -2.651141 ESP Fit Center 1421 is at 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ESP Fit Center 1476 is at -0.456987 2.630166 -3.689946 ESP Fit Center 1477 is at -0.670608 3.000167 -3.689946 ESP Fit Center 1478 is at -1.097848 3.000167 -3.689946 ESP Fit Center 1479 is at -1.311468 2.630166 -3.689946 ESP Fit Center 1480 is at -1.097848 2.260165 -3.689946 ESP Fit Center 1481 is at -0.670608 2.260165 -3.689946 ESP Fit Center 1482 is at -0.884228 2.630166 -3.738085 ESP Fit Center 1483 is at -0.433796 3.077372 1.718341 ESP Fit Center 1484 is at 0.196352 3.428820 1.576340 ESP Fit Center 1485 is at -0.220176 3.540428 1.576340 ESP Fit Center 1486 is at -0.636705 3.428820 1.576340 ESP Fit Center 1487 is at -0.941624 3.123900 1.576340 ESP Fit Center 1488 is at -1.053233 2.707372 1.576340 ESP Fit Center 1489 is at 0.696856 3.476853 1.347596 ESP Fit Center 1490 is at 0.378374 3.744091 1.347596 ESP Fit Center 1491 is at -0.012302 3.886285 1.347596 ESP Fit Center 1492 is at -0.428050 3.886285 1.347596 ESP Fit Center 1493 is at -0.818726 3.744091 1.347596 ESP Fit Center 1494 is 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Fit Center 1513 is at 0.946910 4.170852 0.273720 ESP Fit Center 1514 is at 0.591994 4.393861 0.273720 ESP Fit Center 1515 is at 0.196352 4.532302 0.273720 ESP Fit Center 1516 is at -0.220176 4.579233 0.273720 ESP Fit Center 1517 is at -0.636705 4.532302 0.273720 ESP Fit Center 1518 is at -1.032346 4.393861 0.273720 ESP Fit Center 1519 is at -1.387263 4.170852 0.273720 ESP Fit Center 1520 is at 1.308323 3.869306 -0.153520 ESP Fit Center 1521 is at 1.022806 4.170723 -0.153520 ESP Fit Center 1522 is at 0.679168 4.403715 -0.153520 ESP Fit Center 1523 is at 0.293478 4.557388 -0.153520 ESP Fit Center 1524 is at -0.116229 4.624556 -0.153520 ESP Fit Center 1525 is at -0.530798 4.602078 -0.153520 ESP Fit Center 1526 is at -0.930841 4.491007 -0.153520 ESP Fit Center 1527 is at 1.243304 3.874458 -0.580761 ESP Fit Center 1528 is at 0.946910 4.170852 -0.580761 ESP Fit Center 1529 is at 0.591994 4.393861 -0.580761 ESP Fit Center 1530 is at 0.196352 4.532302 -0.580761 ESP Fit Center 1531 is at 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1568 is at 0.707190 1.636498 -3.323509 ESP Fit Center 1569 is at 0.290662 1.524890 -3.323509 ESP Fit Center 1570 is at 0.290662 0.081993 -3.323509 ESP Fit Center 1571 is at 0.707190 -0.029615 -3.323509 ESP Fit Center 1572 is at 1.123719 0.081993 -3.323509 ESP Fit Center 1573 is at 1.428639 0.386913 -3.323509 ESP Fit Center 1574 is at 1.134431 0.803442 -3.465511 ESP Fit Center 1575 is at 0.920810 1.173442 -3.465511 ESP Fit Center 1576 is at 0.493570 1.173442 -3.465511 ESP Fit Center 1577 is at 0.279950 0.803442 -3.465511 ESP Fit Center 1578 is at 0.493570 0.433441 -3.465511 ESP Fit Center 1579 is at 0.920810 0.433441 -3.465511 ESP Fit Center 1580 is at 0.707190 0.803442 -3.513649 ESP Fit Center 1581 is at -2.611047 0.986257 -2.215214 ESP Fit Center 1582 is at -2.091645 -1.289394 -2.215214 ESP Fit Center 1583 is at -2.456273 0.977993 -2.621031 ESP Fit Center 1584 is at -2.604152 0.588069 -2.621031 ESP Fit Center 1585 is at -2.654418 0.174087 -2.621031 ESP Fit Center 1586 is at -2.604152 -0.239896 -2.621031 ESP Fit Center 1587 is at -2.456273 -0.629820 -2.621031 ESP Fit Center 1588 is at -2.219377 -0.973023 -2.621031 ESP Fit Center 1589 is at -1.907231 -1.249560 -2.621031 ESP Fit Center 1590 is at -1.537975 -1.443361 -2.621031 ESP Fit Center 1591 is at -1.907580 1.308555 -2.985074 ESP Fit Center 1592 is at -2.187378 0.985651 -2.985074 ESP Fit Center 1593 is at -2.364869 0.597000 -2.985074 ESP Fit Center 1594 is at -2.425675 0.174087 -2.985074 ESP Fit Center 1595 is at -2.364869 -0.248827 -2.985074 ESP Fit Center 1596 is at -2.187378 -0.637478 -2.985074 ESP Fit Center 1597 is at -1.907580 -0.960381 -2.985074 ESP Fit Center 1598 is at -1.548144 -1.191377 -2.985074 ESP Fit Center 1599 is at -1.138189 -1.311751 -2.985074 ESP Fit Center 1600 is at -0.710927 -1.311751 -2.985074 ESP Fit Center 1601 is at -0.300972 -1.191377 -2.985074 ESP Fit Center 1602 is at 0.058464 -0.960381 -2.985074 ESP Fit Center 1603 is at 0.338261 -0.637478 -2.985074 ESP Fit Center 1604 is at 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ESP Fit Center 1695 is at -2.892859 0.750711 2.831411 ESP Fit Center 1696 is at -2.820665 0.341278 2.831411 ESP Fit Center 1697 is at -1.482127 2.236548 2.527395 ESP Fit Center 1698 is at -1.909389 2.236548 2.527395 ESP Fit Center 1699 is at -2.319345 2.116174 2.527395 ESP Fit Center 1700 is at -2.678780 1.885179 2.527395 ESP Fit Center 1701 is at -2.958578 1.562276 2.527395 ESP Fit Center 1702 is at -3.136069 1.173624 2.527395 ESP Fit Center 1703 is at -3.196875 0.750711 2.527395 ESP Fit Center 1704 is at -3.136069 0.327797 2.527395 ESP Fit Center 1705 is at -1.487247 2.467958 2.163352 ESP Fit Center 1706 is at -1.904270 2.467958 2.163352 ESP Fit Center 1707 is at -2.309175 2.368158 2.163352 ESP Fit Center 1708 is at -2.678431 2.174358 2.163352 ESP Fit Center 1709 is at -2.990577 1.897820 2.163352 ESP Fit Center 1710 is at -3.227473 1.554617 2.163352 ESP Fit Center 1711 is at -3.375352 1.164693 2.163352 ESP Fit Center 1712 is at -3.425618 0.750711 2.163352 ESP Fit Center 1713 is at 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Fit Center 1750 is at -1.441441 0.304124 3.354270 ESP Fit Center 1751 is at -1.832117 0.161930 3.354270 ESP Fit Center 1752 is at -2.150599 -0.105308 3.354270 ESP Fit Center 1753 is at -2.358473 -0.465357 3.354270 ESP Fit Center 1754 is at -2.430667 -0.874789 3.354270 ESP Fit Center 1755 is at -2.358473 -1.284222 3.354270 ESP Fit Center 1756 is at -2.150599 -1.644271 3.354270 ESP Fit Center 1757 is at -1.832117 -1.911509 3.354270 ESP Fit Center 1758 is at -1.441441 -2.053703 3.354270 ESP Fit Center 1759 is at -1.025692 -2.053703 3.354270 ESP Fit Center 1760 is at -0.635016 -1.911509 3.354270 ESP Fit Center 1761 is at -0.316535 -1.644271 3.354270 ESP Fit Center 1762 is at -0.108660 -1.284222 3.354270 ESP Fit Center 1763 is at -2.673877 -0.451876 3.050254 ESP Fit Center 1764 is at -2.734683 -0.874789 3.050254 ESP Fit Center 1765 is at -2.673877 -1.297703 3.050254 ESP Fit Center 1766 is at -2.496386 -1.686354 3.050254 ESP Fit Center 1767 is at -2.216589 -2.009257 3.050254 ESP Fit Center 1768 is at -1.857153 -2.240253 3.050254 ESP Fit Center 1769 is at -1.447198 -2.360627 3.050254 ESP Fit Center 1770 is at -1.019935 -2.360627 3.050254 ESP Fit Center 1771 is at -0.609980 -2.240253 3.050254 ESP Fit Center 1772 is at -0.250544 -2.009257 3.050254 ESP Fit Center 1773 is at 0.029253 -1.686354 3.050254 ESP Fit Center 1774 is at -2.913160 -1.288772 2.686210 ESP Fit Center 1775 is at -2.765282 -1.678696 2.686210 ESP Fit Center 1776 is at -2.528386 -2.021899 2.686210 ESP Fit Center 1777 is at -2.216239 -2.298436 2.686210 ESP Fit Center 1778 is at -1.846984 -2.492237 2.686210 ESP Fit Center 1779 is at -1.442078 -2.592037 2.686210 ESP Fit Center 1780 is at -1.025055 -2.592037 2.686210 ESP Fit Center 1781 is at -0.620150 -2.492237 2.686210 ESP Fit Center 1782 is at -0.250894 -2.298436 2.686210 ESP Fit Center 1783 is at 0.061252 -2.021899 2.686210 ESP Fit Center 1784 is at -2.697047 -2.041876 2.280393 ESP Fit Center 1785 is at -2.400653 -2.338270 2.280393 ESP Fit Center 1786 is at 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2.055348 ESP Fit Center 1877 is at -4.089737 0.530555 2.055348 ESP Fit Center 1878 is at -4.449173 0.299559 2.055348 ESP Fit Center 1879 is at -4.728970 -0.023344 2.055348 ESP Fit Center 1880 is at -4.906461 -0.411995 2.055348 ESP Fit Center 1881 is at -4.967267 -0.834909 2.055348 ESP Fit Center 1882 is at -4.906461 -1.257822 2.055348 ESP Fit Center 1883 is at -4.728970 -1.646474 2.055348 ESP Fit Center 1884 is at -4.449173 -1.969377 2.055348 ESP Fit Center 1885 is at -4.089737 -2.200372 2.055348 ESP Fit Center 1886 is at -3.679781 -2.320746 2.055348 ESP Fit Center 1887 is at -3.252519 -2.320746 2.055348 ESP Fit Center 1888 is at -3.674662 0.882339 1.691304 ESP Fit Center 1889 is at -4.079567 0.782539 1.691304 ESP Fit Center 1890 is at -4.448823 0.588738 1.691304 ESP Fit Center 1891 is at -4.760969 0.312201 1.691304 ESP Fit Center 1892 is at -4.997865 -0.031003 1.691304 ESP Fit Center 1893 is at -5.145744 -0.420926 1.691304 ESP Fit Center 1894 is at -5.196011 -0.834909 1.691304 ESP Fit Center 1895 is at -5.145744 -1.248891 1.691304 ESP Fit Center 1896 is at -4.997865 -1.638815 1.691304 ESP Fit Center 1897 is at -4.760969 -1.982018 1.691304 ESP Fit Center 1898 is at -4.448823 -2.258556 1.691304 ESP Fit Center 1899 is at -4.079567 -2.452356 1.691304 ESP Fit Center 1900 is at -3.674662 -2.552156 1.691304 ESP Fit Center 1901 is at -3.882679 0.990021 1.285488 ESP Fit Center 1902 is at -4.278321 0.851580 1.285488 ESP Fit Center 1903 is at -4.633237 0.628572 1.285488 ESP Fit Center 1904 is at -4.929631 0.332178 1.285488 ESP Fit Center 1905 is at -5.152639 -0.022738 1.285488 ESP Fit Center 1906 is at -5.291080 -0.418380 1.285488 ESP Fit Center 1907 is at -5.338012 -0.834909 1.285488 ESP Fit Center 1908 is at -5.291080 -1.251437 1.285488 ESP Fit Center 1909 is at -5.152639 -1.647079 1.285488 ESP Fit Center 1910 is at -4.929631 -2.001995 1.285488 ESP Fit Center 1911 is at -4.633237 -2.298389 1.285488 ESP Fit Center 1912 is at -4.278321 -2.521398 1.285488 ESP Fit Center 1913 is at -3.882679 -2.659839 1.285488 ESP Fit Center 1914 is at -4.176816 0.948727 0.858248 ESP Fit Center 1915 is at -4.543629 0.754254 0.858248 ESP Fit Center 1916 is at -4.860062 0.485474 0.858248 ESP Fit Center 1917 is at -5.111316 0.154955 0.858248 ESP Fit Center 1918 is at -5.285644 -0.221850 0.858248 ESP Fit Center 1919 is at -5.374895 -0.627320 0.858248 ESP Fit Center 1920 is at -5.374895 -1.042497 0.858248 ESP Fit Center 1921 is at -5.285644 -1.447968 0.858248 ESP Fit Center 1922 is at -5.111316 -1.824772 0.858248 ESP Fit Center 1923 is at -4.860062 -2.155292 0.858248 ESP Fit Center 1924 is at -4.543629 -2.424072 0.858248 ESP Fit Center 1925 is at -4.176816 -2.618544 0.858248 ESP Fit Center 1926 is at -4.633237 0.628572 0.431007 ESP Fit Center 1927 is at -4.929631 0.332178 0.431007 ESP Fit Center 1928 is at -5.152639 -0.022738 0.431007 ESP Fit Center 1929 is at -5.291080 -0.418380 0.431007 ESP Fit Center 1930 is at -5.338012 -0.834909 0.431007 ESP Fit Center 1931 is at -5.291080 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-2.906642 1.361168 ESP Fit Center 1950 is at -3.398757 -3.004391 1.057152 ESP Fit Center 1951 is at -3.039321 -3.235386 1.057152 ESP Fit Center 1952 is at -2.629366 -3.355760 1.057152 ESP Fit Center 1953 is at -2.202104 -3.355760 1.057152 ESP Fit Center 1954 is at -1.792149 -3.235386 1.057152 ESP Fit Center 1955 is at -3.710554 -3.017032 0.693108 ESP Fit Center 1956 is at -3.398408 -3.293570 0.693108 ESP Fit Center 1957 is at -3.029152 -3.487370 0.693108 ESP Fit Center 1958 is at -2.624247 -3.587170 0.693108 ESP Fit Center 1959 is at -2.207223 -3.587170 0.693108 ESP Fit Center 1960 is at -1.802318 -3.487370 0.693108 ESP Fit Center 1961 is at -1.433062 -3.293570 0.693108 ESP Fit Center 1962 is at -4.102224 -2.682093 0.287291 ESP Fit Center 1963 is at -3.879215 -3.037009 0.287291 ESP Fit Center 1964 is at -3.582822 -3.333403 0.287291 ESP Fit Center 1965 is at -3.227905 -3.556412 0.287291 ESP Fit Center 1966 is at -2.832263 -3.694853 0.287291 ESP Fit Center 1967 is at -2.415735 -3.741784 0.287291 ESP Fit Center 1968 is at -1.999207 -3.694853 0.287291 ESP Fit Center 1969 is at -1.603565 -3.556412 0.287291 ESP Fit Center 1970 is at -4.060901 -2.859786 -0.139949 ESP Fit Center 1971 is at -3.809646 -3.190306 -0.139949 ESP Fit Center 1972 is at -3.493214 -3.459086 -0.139949 ESP Fit Center 1973 is at -3.126400 -3.653558 -0.139949 ESP Fit Center 1974 is at -2.726356 -3.764630 -0.139949 ESP Fit Center 1975 is at -2.311788 -3.787107 -0.139949 ESP Fit Center 1976 is at -1.902081 -3.719939 -0.139949 ESP Fit Center 1977 is at -1.516391 -3.566266 -0.139949 ESP Fit Center 1978 is at -4.102224 -2.682093 -0.567189 ESP Fit Center 1979 is at -3.879215 -3.037009 -0.567189 ESP Fit Center 1980 is at -3.582822 -3.333403 -0.567189 ESP Fit Center 1981 is at -3.227905 -3.556412 -0.567189 ESP Fit Center 1982 is at -2.832263 -3.694853 -0.567189 ESP Fit Center 1983 is at -2.415735 -3.741784 -0.567189 ESP Fit Center 1984 is at -1.999207 -3.694853 -0.567189 ESP Fit Center 1985 is at -1.603565 -3.556412 -0.567189 ESP Fit Center 1986 is at -3.947450 -2.673829 -0.973006 ESP Fit Center 1987 is at -3.710554 -3.017032 -0.973006 ESP Fit Center 1988 is at -3.398408 -3.293570 -0.973006 ESP Fit Center 1989 is at -3.029152 -3.487370 -0.973006 ESP Fit Center 1990 is at -2.624247 -3.587170 -0.973006 ESP Fit Center 1991 is at -2.207223 -3.587170 -0.973006 ESP Fit Center 1992 is at -1.802318 -3.487370 -0.973006 ESP Fit Center 1993 is at -3.856046 -2.292836 -1.337049 ESP Fit Center 1994 is at -3.678555 -2.681488 -1.337049 ESP Fit Center 1995 is at -3.398757 -3.004391 -1.337049 ESP Fit Center 1996 is at -3.039321 -3.235386 -1.337049 ESP Fit Center 1997 is at -2.629366 -3.355760 -1.337049 ESP Fit Center 1998 is at -2.202104 -3.355760 -1.337049 ESP Fit Center 1999 is at -1.792149 -3.235386 -1.337049 ESP Fit Center 2000 is at -3.540641 -2.279355 -1.641065 ESP Fit Center 2001 is at -3.332767 -2.639404 -1.641065 ESP Fit Center 2002 is at -3.014285 -2.906642 -1.641065 ESP Fit Center 2003 is at 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is at 0.330041 -2.346924 -2.703921 ESP Fit Center 2094 is at 0.035833 -1.930395 -2.845922 ESP Fit Center 2095 is at -0.177787 -1.560395 -2.845922 ESP Fit Center 2096 is at -0.605027 -1.560395 -2.845922 ESP Fit Center 2097 is at -0.818647 -1.930395 -2.845922 ESP Fit Center 2098 is at -0.605027 -2.300396 -2.845922 ESP Fit Center 2099 is at -0.177787 -2.300396 -2.845922 ESP Fit Center 2100 is at -0.391407 -1.930395 -2.894061 ESP Fit Center 2101 is at 0.233898 -2.221377 2.597251 ESP Fit Center 2102 is at 0.661138 -2.221377 2.549113 ESP Fit Center 2103 is at 0.020278 -2.591378 2.549113 ESP Fit Center 2104 is at 0.447518 -2.591378 2.549113 ESP Fit Center 2105 is at 1.066955 -2.221377 2.407111 ESP Fit Center 2106 is at -0.487550 -2.637905 2.407111 ESP Fit Center 2107 is at -0.182630 -2.942825 2.407111 ESP Fit Center 2108 is at 0.233898 -3.054433 2.407111 ESP Fit Center 2109 is at 0.650427 -2.942825 2.407111 ESP Fit Center 2110 is at 0.955347 -2.637905 2.407111 ESP Fit Center 2111 is at 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1.510308 ESP Fit Center 2130 is at -1.060921 -3.368486 1.510308 ESP Fit Center 2131 is at -0.748774 -3.645024 1.510308 ESP Fit Center 2132 is at -0.379519 -3.838824 1.510308 ESP Fit Center 2133 is at 0.025387 -3.938624 1.510308 ESP Fit Center 2134 is at 0.442410 -3.938624 1.510308 ESP Fit Center 2135 is at 0.847315 -3.838824 1.510308 ESP Fit Center 2136 is at 1.216571 -3.645024 1.510308 ESP Fit Center 2137 is at 1.528717 -3.368486 1.510308 ESP Fit Center 2138 is at 1.765613 -3.025283 1.510308 ESP Fit Center 2139 is at 1.913492 -2.635359 1.510308 ESP Fit Center 2140 is at -1.452591 -3.033547 1.104491 ESP Fit Center 2141 is at -1.229582 -3.388463 1.104491 ESP Fit Center 2142 is at -0.933188 -3.684857 1.104491 ESP Fit Center 2143 is at -0.578272 -3.907866 1.104491 ESP Fit Center 2144 is at -0.182630 -4.046307 1.104491 ESP Fit Center 2145 is at 0.233898 -4.093238 1.104491 ESP Fit Center 2146 is at 0.650427 -4.046307 1.104491 ESP Fit Center 2147 is at 1.046069 -3.907866 1.104491 ESP Fit Center 2148 is at 1.400985 -3.684857 1.104491 ESP Fit Center 2149 is at 1.697379 -3.388463 1.104491 ESP Fit Center 2150 is at -1.160013 -3.541760 0.677251 ESP Fit Center 2151 is at -0.843581 -3.810540 0.677251 ESP Fit Center 2152 is at -0.476767 -4.005012 0.677251 ESP Fit Center 2153 is at -0.076723 -4.116084 0.677251 ESP Fit Center 2154 is at 0.337845 -4.138561 0.677251 ESP Fit Center 2155 is at 0.747553 -4.071393 0.677251 ESP Fit Center 2156 is at 1.133243 -3.917720 0.677251 ESP Fit Center 2157 is at 1.476880 -3.684728 0.677251 ESP Fit Center 2158 is at -1.229582 -3.388463 0.250011 ESP Fit Center 2159 is at -0.933188 -3.684857 0.250011 ESP Fit Center 2160 is at -0.578272 -3.907866 0.250011 ESP Fit Center 2161 is at -0.182630 -4.046307 0.250011 ESP Fit Center 2162 is at 0.233898 -4.093238 0.250011 ESP Fit Center 2163 is at 0.650427 -4.046307 0.250011 ESP Fit Center 2164 is at 0.025387 -3.938624 -0.155806 ESP Fit Center 2165 is at 0.442410 -3.938624 -0.155806 ESP Fit Center 2166 is at 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-0.705782 -2.875071 ESP Fit Center 2185 is at 3.153438 -0.317131 -2.875071 ESP Fit Center 2186 is at 2.873641 0.005773 -2.875071 ESP Fit Center 2187 is at 2.514205 0.236768 -2.875071 ESP Fit Center 2188 is at 2.104250 0.357142 -2.875071 ESP Fit Center 2189 is at 0.389502 -1.128696 -2.875071 ESP Fit Center 2190 is at 0.450308 -1.551609 -2.875071 ESP Fit Center 2191 is at 2.873641 -2.263164 -2.875071 ESP Fit Center 2192 is at 3.153438 -1.940260 -2.875071 ESP Fit Center 2193 is at 3.330929 -1.551609 -2.875071 ESP Fit Center 2194 is at 3.087719 -1.128696 -3.179087 ESP Fit Center 2195 is at 3.015525 -0.719263 -3.179087 ESP Fit Center 2196 is at 2.807651 -0.359214 -3.179087 ESP Fit Center 2197 is at 2.489169 -0.091976 -3.179087 ESP Fit Center 2198 is at 2.098493 0.050218 -3.179087 ESP Fit Center 2199 is at 1.682744 0.050218 -3.179087 ESP Fit Center 2200 is at 0.973587 -0.359214 -3.179087 ESP Fit Center 2201 is at 0.765712 -0.719263 -3.179087 ESP Fit Center 2202 is at 0.693518 -1.128696 -3.179087 ESP Fit Center 2203 is at 0.765712 -1.538128 -3.179087 ESP Fit Center 2204 is at 0.973587 -1.898177 -3.179087 ESP Fit Center 2205 is at 1.292068 -2.165415 -3.179087 ESP Fit Center 2206 is at 1.682744 -2.307609 -3.179087 ESP Fit Center 2207 is at 2.098493 -2.307609 -3.179087 ESP Fit Center 2208 is at 2.489169 -2.165415 -3.179087 ESP Fit Center 2209 is at 2.807651 -1.898177 -3.179087 ESP Fit Center 2210 is at 3.015525 -1.538128 -3.179087 ESP Fit Center 2211 is at 2.723675 -1.128696 -3.407831 ESP Fit Center 2212 is at 2.612067 -0.712167 -3.407831 ESP Fit Center 2213 is at 2.307147 -0.407247 -3.407831 ESP Fit Center 2214 is at 1.890619 -0.295639 -3.407831 ESP Fit Center 2215 is at 1.474090 -0.407247 -3.407831 ESP Fit Center 2216 is at 1.169170 -0.712167 -3.407831 ESP Fit Center 2217 is at 1.057562 -1.128696 -3.407831 ESP Fit Center 2218 is at 1.169170 -1.545224 -3.407831 ESP Fit Center 2219 is at 1.474090 -1.850144 -3.407831 ESP Fit Center 2220 is at 1.890619 -1.961752 -3.407831 ESP Fit Center 2221 is at 2.307147 -1.850144 -3.407831 ESP Fit Center 2222 is at 2.612067 -1.545224 -3.407831 ESP Fit Center 2223 is at 2.317859 -1.128696 -3.549832 ESP Fit Center 2224 is at 2.104239 -0.758695 -3.549832 ESP Fit Center 2225 is at 1.676999 -0.758695 -3.549832 ESP Fit Center 2226 is at 1.463378 -1.128696 -3.549832 ESP Fit Center 2227 is at 1.676999 -1.498696 -3.549832 ESP Fit Center 2228 is at 2.104239 -1.498696 -3.549832 ESP Fit Center 2229 is at 1.890619 -1.128696 -3.597970 ESP Fit Center 2230 is at 1.208094 -3.855745 0.407641 ESP Fit Center 2231 is at 1.598770 -3.997939 0.407641 ESP Fit Center 2232 is at 2.014518 -3.997939 0.407641 ESP Fit Center 2233 is at 2.405194 -3.855745 0.407641 ESP Fit Center 2234 is at 2.723676 -3.588507 0.407641 ESP Fit Center 2235 is at 1.183058 -4.184489 0.103625 ESP Fit Center 2236 is at 1.593013 -4.304863 0.103625 ESP Fit Center 2237 is at 2.020275 -4.304863 0.103625 ESP Fit Center 2238 is at 2.430230 -4.184489 0.103625 ESP Fit Center 2239 is at 2.789666 -3.953493 0.103625 ESP Fit Center 2240 is at 3.069464 -3.630590 0.103625 ESP Fit Center 2241 is at 0.511825 -3.966135 -0.260419 ESP Fit Center 2242 is at 0.823971 -4.242672 -0.260419 ESP Fit Center 2243 is at 1.193227 -4.436473 -0.260419 ESP Fit Center 2244 is at 1.598132 -4.536273 -0.260419 ESP Fit Center 2245 is at 2.015156 -4.536273 -0.260419 ESP Fit Center 2246 is at 2.420061 -4.436473 -0.260419 ESP Fit Center 2247 is at 2.789317 -4.242672 -0.260419 ESP Fit Center 2248 is at 3.101463 -3.966135 -0.260419 ESP Fit Center 2249 is at 3.338359 -3.622931 -0.260419 ESP Fit Center 2250 is at 0.343164 -3.986112 -0.666236 ESP Fit Center 2251 is at 0.639557 -4.282506 -0.666236 ESP Fit Center 2252 is at 0.994474 -4.505514 -0.666236 ESP Fit Center 2253 is at 1.390116 -4.643955 -0.666236 ESP Fit Center 2254 is at 1.806644 -4.690887 -0.666236 ESP Fit Center 2255 is at 2.223172 -4.643955 -0.666236 ESP Fit Center 2256 is at 2.618814 -4.505514 -0.666236 ESP Fit Center 2257 is at 2.973731 -4.282506 -0.666236 ESP Fit Center 2258 is at 3.270124 -3.986112 -0.666236 ESP Fit Center 2259 is at 3.493133 -3.631196 -0.666236 ESP Fit Center 2260 is at 3.631574 -3.235554 -0.666236 ESP Fit Center 2261 is at 0.161478 -3.808889 -1.093476 ESP Fit Center 2262 is at 0.412733 -4.139408 -1.093476 ESP Fit Center 2263 is at 0.729165 -4.408188 -1.093476 ESP Fit Center 2264 is at 1.095979 -4.602661 -1.093476 ESP Fit Center 2265 is at 1.496023 -4.713732 -1.093476 ESP Fit Center 2266 is at 1.910591 -4.736209 -1.093476 ESP Fit Center 2267 is at 2.320298 -4.669041 -1.093476 ESP Fit Center 2268 is at 2.705988 -4.515368 -1.093476 ESP Fit Center 2269 is at 3.049626 -4.282376 -1.093476 ESP Fit Center 2270 is at 3.335143 -3.980960 -1.093476 ESP Fit Center 2271 is at 3.549189 -3.625212 -1.093476 ESP Fit Center 2272 is at 3.681755 -3.231769 -1.093476 ESP Fit Center 2273 is at 0.343164 -3.986112 -1.520716 ESP Fit Center 2274 is at 0.639557 -4.282506 -1.520716 ESP Fit Center 2275 is at 0.994474 -4.505514 -1.520716 ESP Fit Center 2276 is at 1.390116 -4.643955 -1.520716 ESP Fit Center 2277 is at 1.806644 -4.690887 -1.520716 ESP Fit Center 2278 is at 2.223172 -4.643955 -1.520716 ESP Fit Center 2279 is at 2.618814 -4.505514 -1.520716 ESP Fit Center 2280 is at 2.973731 -4.282506 -1.520716 ESP Fit Center 2281 is at 3.270124 -3.986112 -1.520716 ESP Fit Center 2282 is at 3.493133 -3.631196 -1.520716 ESP Fit Center 2283 is at 3.631574 -3.235554 -1.520716 ESP Fit Center 2284 is at 3.536504 -2.819025 -1.926533 ESP Fit Center 2285 is at 0.274929 -3.622931 -1.926533 ESP Fit Center 2286 is at 0.511825 -3.966135 -1.926533 ESP Fit Center 2287 is at 0.823971 -4.242672 -1.926533 ESP Fit Center 2288 is at 1.193227 -4.436473 -1.926533 ESP Fit Center 2289 is at 1.598132 -4.536273 -1.926533 ESP Fit Center 2290 is at 2.015156 -4.536273 -1.926533 ESP Fit Center 2291 is at 2.420061 -4.436473 -1.926533 ESP Fit Center 2292 is at 2.789317 -4.242672 -1.926533 ESP Fit Center 2293 is at 3.101463 -3.966135 -1.926533 ESP Fit Center 2294 is at 3.338359 -3.622931 -1.926533 ESP Fit Center 2295 is at 3.486238 -3.233008 -1.926533 ESP Fit Center 2296 is at 3.307760 -2.819025 -2.290576 ESP Fit Center 2297 is at 0.366333 -3.241939 -2.290576 ESP Fit Center 2298 is at 0.543824 -3.630590 -2.290576 ESP Fit Center 2299 is at 0.823622 -3.953493 -2.290576 ESP Fit Center 2300 is at 1.183058 -4.184489 -2.290576 ESP Fit Center 2301 is at 1.593013 -4.304863 -2.290576 ESP Fit Center 2302 is at 2.020275 -4.304863 -2.290576 ESP Fit Center 2303 is at 2.430230 -4.184489 -2.290576 ESP Fit Center 2304 is at 2.789666 -3.953493 -2.290576 ESP Fit Center 2305 is at 3.069464 -3.630590 -2.290576 ESP Fit Center 2306 is at 3.246955 -3.241939 -2.290576 ESP Fit Center 2307 is at 3.003744 -2.819025 -2.594592 ESP Fit Center 2308 is at 0.681738 -3.228458 -2.594592 ESP Fit Center 2309 is at 0.889612 -3.588507 -2.594592 ESP Fit Center 2310 is at 1.208094 -3.855745 -2.594592 ESP Fit Center 2311 is at 1.598770 -3.997939 -2.594592 ESP Fit Center 2312 is at 2.014518 -3.997939 -2.594592 ESP Fit Center 2313 is at 2.405194 -3.855745 -2.594592 ESP Fit Center 2314 is at 2.723676 -3.588507 -2.594592 ESP Fit Center 2315 is at 2.931550 -3.228458 -2.594592 ESP Fit Center 2316 is at 2.639701 -2.819025 -2.823336 ESP Fit Center 2317 is at 0.973587 -2.819025 -2.823336 ESP Fit Center 2318 is at 1.085196 -3.235554 -2.823336 ESP Fit Center 2319 is at 1.390116 -3.540474 -2.823336 ESP Fit Center 2320 is at 1.806644 -3.652082 -2.823336 ESP Fit Center 2321 is at 2.223172 -3.540474 -2.823336 ESP Fit Center 2322 is at 2.528092 -3.235554 -2.823336 ESP Fit Center 2323 is at 2.233884 -2.819025 -2.965337 ESP Fit Center 2324 is at 1.379404 -2.819025 -2.965337 ESP Fit Center 2325 is at 1.593024 -3.189026 -2.965337 ESP Fit Center 2326 is at 2.020264 -3.189026 -2.965337 ESP Fit Center 2327 is at 1.806644 -2.819025 -3.013476 ESP Fit Center 2328 is at 2.913380 -1.602968 1.861897 ESP Fit Center 2329 is at 2.272519 -1.972969 1.861897 ESP Fit Center 2330 is at 2.699760 -1.972969 1.861897 ESP Fit Center 2331 is at 3.319196 -1.602968 1.719895 ESP Fit Center 2332 is at 3.207588 -1.186439 1.719895 ESP Fit Center 2333 is at 2.069611 -2.324416 1.719895 ESP Fit Center 2334 is at 2.486140 -2.436025 1.719895 ESP Fit Center 2335 is at 2.902668 -2.324416 1.719895 ESP Fit Center 2336 is at 3.207588 -2.019496 1.719895 ESP Fit Center 2337 is at 3.683240 -1.602968 1.491152 ESP Fit Center 2338 is at 3.611046 -1.193535 1.491152 ESP Fit Center 2339 is at 3.403172 -0.833487 1.491152 ESP Fit Center 2340 is at 2.278265 -2.781882 1.491152 ESP Fit Center 2341 is at 2.694014 -2.781882 1.491152 ESP Fit Center 2342 is at 3.084690 -2.639687 1.491152 ESP Fit Center 2343 is at 3.403172 -2.372449 1.491152 ESP Fit Center 2344 is at 3.611046 -2.012400 1.491152 ESP Fit Center 2345 is at 3.987256 -1.602968 1.187136 ESP Fit Center 2346 is at 3.926450 -1.180055 1.187136 ESP Fit Center 2347 is at 3.748959 -0.791403 1.187136 ESP Fit Center 2348 is at 2.272508 -3.088805 1.187136 ESP Fit Center 2349 is at 2.699771 -3.088805 1.187136 ESP Fit Center 2350 is at 3.109726 -2.968431 1.187136 ESP Fit Center 2351 is at 3.469162 -2.737436 1.187136 ESP Fit Center 2352 is at 3.748959 -2.414533 1.187136 ESP Fit Center 2353 is at 3.926450 -2.025881 1.187136 ESP Fit Center 2354 is at 4.216000 -1.602968 0.823092 ESP Fit Center 2355 is at 4.165733 -1.188985 0.823092 ESP Fit Center 2356 is at 4.017855 -0.799062 0.823092 ESP Fit Center 2357 is at 2.694651 -3.320215 0.823092 ESP Fit Center 2358 is at 3.099556 -3.220415 0.823092 ESP Fit Center 2359 is at 3.468812 -3.026615 0.823092 ESP Fit Center 2360 is at 3.780959 -2.750077 0.823092 ESP Fit Center 2361 is at 4.017855 -2.406874 0.823092 ESP Fit Center 2362 is at 4.165733 -2.016951 0.823092 ESP Fit Center 2363 is at 4.358001 -1.602968 0.417275 ESP Fit Center 2364 is at 4.311070 -1.186439 0.417275 ESP Fit Center 2365 is at 3.298310 -3.289457 0.417275 ESP Fit Center 2366 is at 3.653226 -3.066448 0.417275 ESP Fit Center 2367 is at 3.949620 -2.770054 0.417275 ESP Fit Center 2368 is at 4.172629 -2.415138 0.417275 ESP Fit Center 2369 is at 4.311070 -2.019496 0.417275 ESP Fit Center 2370 is at 4.406140 -1.602968 -0.009965 ESP Fit Center 2371 is at 4.361251 -1.190225 -0.009965 ESP Fit Center 2372 is at 3.385484 -3.299311 -0.009965 ESP Fit Center 2373 is at 3.729121 -3.066319 -0.009965 ESP Fit Center 2374 is at 4.014638 -2.764902 -0.009965 ESP Fit Center 2375 is at 4.228684 -2.409155 -0.009965 ESP Fit Center 2376 is at 4.361251 -2.015711 -0.009965 ESP Fit Center 2377 is at 4.358001 -1.602968 -0.437205 ESP Fit Center 2378 is at 4.311070 -1.186439 -0.437205 ESP Fit Center 2379 is at 3.949620 -2.770054 -0.437205 ESP Fit Center 2380 is at 4.172629 -2.415138 -0.437205 ESP Fit Center 2381 is at 4.311070 -2.019496 -0.437205 ESP Fit Center 2382 is at 4.216000 -1.602968 -0.843022 ESP Fit Center 2383 is at 4.165733 -1.188985 -0.843022 ESP Fit Center 2384 is at 4.017855 -0.799062 -0.843022 ESP Fit Center 2385 is at 4.165733 -2.016951 -0.843022 ESP Fit Center 2386 is at 1.118358 0.836009 3.503204 ESP Fit Center 2387 is at 0.493225 0.475088 3.503204 ESP Fit Center 2388 is at 1.620856 0.885512 3.394928 ESP Fit Center 2389 is at 2.037611 0.885512 3.218126 ESP Fit Center 2390 is at 1.829234 1.246433 3.218126 ESP Fit Center 2391 is at -0.217651 0.064664 3.218126 ESP Fit Center 2392 is at 3.274731 -0.332019 2.091715 ESP Fit Center 2393 is at 1.655880 3.154800 1.749024 ESP Fit Center 2394 is at 3.276282 -0.621184 1.749024 ESP Fit Center 2395 is at 3.608842 -0.363764 1.749024 ESP Fit Center 2396 is at 3.882776 -0.044669 1.749024 ESP Fit Center 2397 is at 2.284161 3.395398 1.369873 ESP Fit Center 2398 is at 1.855894 3.374997 1.369873 ESP Fit Center 2399 is at 1.439227 3.273914 1.369873 ESP Fit Center 2400 is at 1.049220 3.095804 1.369873 ESP Fit Center 2401 is at 3.485032 -0.694393 1.369873 ESP Fit Center 2402 is at 3.809061 -0.413620 1.369873 ESP Fit Center 2403 is at 4.074099 -0.076597 1.369873 ESP Fit Center 2404 is at 4.270565 0.304493 1.369873 ESP Fit Center 2405 is at 4.502407 0.720664 0.965780 ESP Fit Center 2406 is at 4.576851 1.142690 0.549024 ESP Fit Center 2407 is at 4.540390 1.559445 0.549024 ESP Fit Center 2408 is at 3.376851 3.221151 0.549024 ESP Fit Center 2409 is at 4.502407 1.564716 0.132269 ESP Fit Center 2410 is at 4.389679 1.973178 0.132269 ESP Fit Center 2411 is at 4.205828 2.354947 0.132269 ESP Fit Center 2412 is at 3.956765 2.697753 0.132269 ESP Fit Center 2413 is at 3.650494 2.990579 0.132269 ESP Fit Center 2414 is at 4.391358 1.569501 -0.271824 ESP Fit Center 2415 is at 4.270565 1.980886 -0.271824 ESP Fit Center 2416 is at 4.074099 2.361977 -0.271824 ESP Fit Center 2417 is at 3.809061 2.698999 -0.271824 ESP Fit Center 2418 is at 4.086869 1.962343 -0.650976 ESP Fit Center 2419 is at 3.882776 2.330048 -0.650976 ESP Fit Center 2420 is at 3.819801 1.967810 -0.993666 ESP Fit Center 2421 is at 3.494956 1.944247 -1.289482 ESP Fit Center 2422 is at 2.887727 1.553114 -1.706238 ESP Fit Center 2423 is at 1.223166 -0.285284 3.810560 ESP Fit Center 2424 is at 1.650406 -0.285284 3.762422 ESP Fit Center 2425 is at 1.436786 0.084716 3.762422 ESP Fit Center 2426 is at 1.009546 0.084716 3.762422 ESP Fit Center 2427 is at 0.795926 -0.285284 3.762422 ESP Fit Center 2428 is at 1.009546 -0.655285 3.762422 ESP Fit Center 2429 is at 1.436786 -0.655285 3.762422 ESP Fit Center 2430 is at 2.056223 -0.285284 3.620421 ESP Fit Center 2431 is at 1.944614 0.131244 3.620421 ESP Fit Center 2432 is at 1.639695 0.436164 3.620421 ESP Fit Center 2433 is at 1.223166 0.547772 3.620421 ESP Fit Center 2434 is at 0.806638 0.436164 3.620421 ESP Fit Center 2435 is at 0.501718 0.131244 3.620421 ESP Fit Center 2436 is at 0.390109 -0.285284 3.620421 ESP Fit Center 2437 is at 0.501718 -0.701813 3.620421 ESP Fit Center 2438 is at 0.806638 -1.006733 3.620421 ESP Fit Center 2439 is at 1.223166 -1.118341 3.620421 ESP Fit Center 2440 is at 1.639695 -1.006733 3.620421 ESP Fit Center 2441 is at 1.944614 -0.701813 3.620421 ESP Fit Center 2442 is at 2.420267 -0.285284 3.391677 ESP Fit Center 2443 is at 2.348073 0.124148 3.391677 ESP Fit Center 2444 is at 2.140198 0.484197 3.391677 ESP Fit Center 2445 is at 1.821716 0.751435 3.391677 ESP Fit Center 2446 is at 0.098260 0.124148 3.391677 ESP Fit Center 2447 is at 0.026066 -0.285284 3.391677 ESP Fit Center 2448 is at 0.098260 -0.694717 3.391677 ESP Fit Center 2449 is at 0.306134 -1.054766 3.391677 ESP Fit Center 2450 is at 0.624616 -1.322004 3.391677 ESP Fit Center 2451 is at 1.015292 -1.464198 3.391677 ESP Fit Center 2452 is at 1.431040 -1.464198 3.391677 ESP Fit Center 2453 is at 1.821716 -1.322004 3.391677 ESP Fit Center 2454 is at 2.140198 -1.054766 3.391677 ESP Fit Center 2455 is at 2.348073 -0.694717 3.391677 ESP Fit Center 2456 is at 2.724283 -0.285284 3.087661 ESP Fit Center 2457 is at 2.663477 0.137629 3.087661 ESP Fit Center 2458 is at 2.485986 0.526280 3.087661 ESP Fit Center 2459 is at 0.240144 -1.419753 3.087661 ESP Fit Center 2460 is at 0.599580 -1.650748 3.087661 ESP Fit Center 2461 is at 1.009535 -1.771122 3.087661 ESP Fit Center 2462 is at 1.436797 -1.771122 3.087661 ESP Fit Center 2463 is at 1.846752 -1.650748 3.087661 ESP Fit Center 2464 is at 2.206188 -1.419753 3.087661 ESP Fit Center 2465 is at 2.485986 -1.096849 3.087661 ESP Fit Center 2466 is at 2.663477 -0.708198 3.087661 ESP Fit Center 2467 is at 2.953026 -0.285284 2.723617 ESP Fit Center 2468 is at 2.902760 0.128698 2.723617 ESP Fit Center 2469 is at 0.609749 -1.902732 2.723617 ESP Fit Center 2470 is at 1.014655 -2.002532 2.723617 ESP Fit Center 2471 is at 1.431678 -2.002532 2.723617 ESP Fit Center 2472 is at 1.836583 -1.902732 2.723617 ESP Fit Center 2473 is at 2.205839 -1.708932 2.723617 ESP Fit Center 2474 is at 2.517985 -1.432394 2.723617 ESP Fit Center 2475 is at 2.754881 -1.089191 2.723617 ESP Fit Center 2476 is at 2.902760 -0.699267 2.723617 ESP Fit Center 2477 is at 3.095028 -0.285284 2.317801 ESP Fit Center 2478 is at 1.639695 -2.110215 2.317801 ESP Fit Center 2479 is at 2.035336 -1.971773 2.317801 ESP Fit Center 2480 is at 2.390253 -1.748765 2.317801 ESP Fit Center 2481 is at 2.686646 -1.452371 2.317801 ESP Fit Center 2482 is at 2.909655 -1.097455 2.317801 ESP Fit Center 2483 is at 3.048096 -0.701813 2.317801 ESP Fit Center 2484 is at 1.736821 -2.135300 1.890560 ESP Fit Center 2485 is at 2.122510 -1.981628 1.890560 ESP Fit Center 2486 is at 2.751665 -1.447219 1.890560 ESP Fit Center 2487 is at 2.965711 -1.091472 1.890560 ESP Fit Center 2488 is at 3.098278 -0.698028 1.890560 ESP Fit Center 2489 is at 0.431421 1.298091 3.638364 ESP Fit Center 2490 is at 0.858661 1.298091 3.590225 ESP Fit Center 2491 is at 0.645041 1.668091 3.590225 ESP Fit Center 2492 is at 0.217801 1.668091 3.590225 ESP Fit Center 2493 is at 0.004181 1.298091 3.590225 ESP Fit Center 2494 is at 0.217801 0.928090 3.590225 ESP Fit Center 2495 is at 0.645041 0.928090 3.590225 ESP Fit Center 2496 is at 1.264478 1.298091 3.448224 ESP Fit Center 2497 is at 1.152869 1.714619 3.448224 ESP Fit Center 2498 is at 0.847949 2.019539 3.448224 ESP Fit Center 2499 is at 0.431421 2.131147 3.448224 ESP Fit Center 2500 is at 0.014892 2.019539 3.448224 ESP Fit Center 2501 is at -0.290028 1.714619 3.448224 ESP Fit Center 2502 is at -0.401636 1.298091 3.448224 ESP Fit Center 2503 is at -0.290028 0.881562 3.448224 ESP Fit Center 2504 is at 0.014892 0.576642 3.448224 ESP Fit Center 2505 is at 1.556327 1.707523 3.219480 ESP Fit Center 2506 is at 1.348453 2.067572 3.219480 ESP Fit Center 2507 is at 1.029971 2.334810 3.219480 ESP Fit Center 2508 is at 0.639295 2.477004 3.219480 ESP Fit Center 2509 is at 0.223546 2.477004 3.219480 ESP Fit Center 2510 is at -0.167129 2.334810 3.219480 ESP Fit Center 2511 is at -0.485611 2.067572 3.219480 ESP Fit Center 2512 is at -0.693486 1.707523 3.219480 ESP Fit Center 2513 is at -0.765680 1.298091 3.219480 ESP Fit Center 2514 is at -0.693486 0.888658 3.219480 ESP Fit Center 2515 is at -0.485611 0.528609 3.219480 ESP Fit Center 2516 is at 1.694240 2.109655 2.915464 ESP Fit Center 2517 is at 1.414443 2.432559 2.915464 ESP Fit Center 2518 is at 1.055007 2.663554 2.915464 ESP Fit Center 2519 is at 0.645052 2.783928 2.915464 ESP Fit Center 2520 is at 0.217790 2.783928 2.915464 ESP Fit Center 2521 is at -0.192166 2.663554 2.915464 ESP Fit Center 2522 is at -0.551601 2.432559 2.915464 ESP Fit Center 2523 is at -0.831399 2.109655 2.915464 ESP Fit Center 2524 is at -1.008890 1.721004 2.915464 ESP Fit Center 2525 is at 1.414093 2.721738 2.551421 ESP Fit Center 2526 is at 1.044838 2.915538 2.551421 ESP Fit Center 2527 is at 0.639932 3.015338 2.551421 ESP Fit Center 2528 is at 0.222909 3.015338 2.551421 ESP Fit Center 2529 is at -0.181996 2.915538 2.551421 ESP Fit Center 2530 is at -0.551252 2.721738 2.551421 ESP Fit Center 2531 is at -0.863398 2.445200 2.551421 ESP Fit Center 2532 is at 1.243591 2.984580 2.145604 ESP Fit Center 2533 is at 0.847949 3.123021 2.145604 ESP Fit Center 2534 is at 0.431421 3.169952 2.145604 ESP Fit Center 2535 is at 0.014892 3.123021 2.145604 ESP Fit Center 2536 is at -0.380750 2.984580 2.145604 ESP Fit Center 2537 is at -0.735666 2.761571 2.145604 ESP Fit Center 2538 is at -1.032060 2.465177 2.145604 ESP Fit Center 2539 is at 0.945075 3.148107 1.718364 ESP Fit Center 2540 is at 0.535367 3.215275 1.718364 ESP Fit Center 2541 is at 0.120799 3.192797 1.718364 ESP Fit Center 2542 is at -0.646058 2.887253 1.718364 ESP Fit Center 2543 is at -0.962491 2.618474 1.718364 ESP Fit Center 2544 is at 3.808742 -0.656578 1.158190 ESP Fit Center 2545 is at 4.088539 -0.333675 1.158190 ESP Fit Center 2546 is at 4.266030 0.054977 1.158190 ESP Fit Center 2547 is at 4.555580 0.477890 0.794147 ESP Fit Center 2548 is at 4.120539 -0.669220 0.794147 ESP Fit Center 2549 is at 4.357435 -0.326016 0.794147 ESP Fit Center 2550 is at 4.505313 0.063907 0.794147 ESP Fit Center 2551 is at 4.697581 0.477890 0.388330 ESP Fit Center 2552 is at 4.650650 0.894418 0.388330 ESP Fit Center 2553 is at 4.289200 -0.689197 0.388330 ESP Fit Center 2554 is at 4.512209 -0.334280 0.388330 ESP Fit Center 2555 is at 4.650650 0.061362 0.388330 ESP Fit Center 2556 is at 4.745720 0.477890 -0.038910 ESP Fit Center 2557 is at 4.700831 0.890633 -0.038910 ESP Fit Center 2558 is at 4.568264 1.284077 -0.038910 ESP Fit Center 2559 is at 4.354218 -0.684045 -0.038910 ESP Fit Center 2560 is at 4.568264 -0.328297 -0.038910 ESP Fit Center 2561 is at 4.700831 0.065147 -0.038910 ESP Fit Center 2562 is at 4.697581 0.477890 -0.466150 ESP Fit Center 2563 is at 4.650650 0.894418 -0.466150 ESP Fit Center 2564 is at 4.512209 1.290060 -0.466150 ESP Fit Center 2565 is at 4.289200 -0.689197 -0.466150 ESP Fit Center 2566 is at 4.512209 -0.334280 -0.466150 ESP Fit Center 2567 is at 4.650650 0.061362 -0.466150 ESP Fit Center 2568 is at 4.555580 0.477890 -0.871967 ESP Fit Center 2569 is at 4.505313 0.891873 -0.871967 ESP Fit Center 2570 is at 4.357435 1.281796 -0.871967 ESP Fit Center 2571 is at 4.120539 1.624999 -0.871967 ESP Fit Center 2572 is at 4.120539 -0.669220 -0.871967 ESP Fit Center 2573 is at 4.357435 -0.326016 -0.871967 ESP Fit Center 2574 is at 4.505313 0.063907 -0.871967 ESP Fit Center 2575 is at 4.326836 0.477890 -1.236011 ESP Fit Center 2576 is at 4.266030 0.900803 -1.236011 ESP Fit Center 2577 is at 4.088539 1.289455 -1.236011 ESP Fit Center 2578 is at 3.808742 1.612358 -1.236011 ESP Fit Center 2579 is at 3.808742 -0.656578 -1.236011 ESP Fit Center 2580 is at 4.088539 -0.333675 -1.236011 ESP Fit Center 2581 is at 4.266030 0.054977 -1.236011 ESP Fit Center 2582 is at 4.022820 0.477890 -1.540027 ESP Fit Center 2583 is at 3.950626 0.887322 -1.540027 ESP Fit Center 2584 is at 3.742752 1.247371 -1.540027 ESP Fit Center 2585 is at 3.424270 1.514609 -1.540027 ESP Fit Center 2586 is at 3.742752 -0.291591 -1.540027 ESP Fit Center 2587 is at 3.950626 0.068458 -1.540027 ESP Fit Center 2588 is at 3.658776 0.477890 -1.768770 ESP Fit Center 2589 is at 3.547168 0.894418 -1.768770 ESP Fit Center 2590 is at 3.242248 1.199338 -1.768770 ESP Fit Center 2591 is at 2.825720 1.310947 -1.768770 ESP Fit Center 2592 is at 3.547168 0.061362 -1.768770 ESP Fit Center 2593 is at 3.252960 0.477890 -1.910772 ESP Fit Center 2594 is at 3.039340 0.847891 -1.910772 ESP Fit Center 2595 is at 2.612100 0.847891 -1.910772 ESP Fit Center 2596 is at 2.792362 1.531544 3.307671 ESP Fit Center 2597 is at 3.219602 1.531544 3.259533 ESP Fit Center 2598 is at 3.005982 1.901545 3.259533 ESP Fit Center 2599 is at 2.578742 1.901545 3.259533 ESP Fit Center 2600 is at 2.365122 1.531544 3.259533 ESP Fit Center 2601 is at 2.578742 1.161544 3.259533 ESP Fit Center 2602 is at 3.005982 1.161544 3.259533 ESP Fit Center 2603 is at 3.625419 1.531544 3.117531 ESP Fit Center 2604 is at 3.513810 1.948073 3.117531 ESP Fit Center 2605 is at 3.208890 2.252993 3.117531 ESP Fit Center 2606 is at 2.792362 2.364601 3.117531 ESP Fit Center 2607 is at 2.375834 2.252993 3.117531 ESP Fit Center 2608 is at 2.070914 1.948073 3.117531 ESP Fit Center 2609 is at 1.959305 1.531544 3.117531 ESP Fit Center 2610 is at 2.375834 0.810096 3.117531 ESP Fit Center 2611 is at 2.792362 0.698488 3.117531 ESP Fit Center 2612 is at 3.208890 0.810096 3.117531 ESP Fit Center 2613 is at 3.513810 1.115016 3.117531 ESP Fit Center 2614 is at 3.989462 1.531544 2.888787 ESP Fit Center 2615 is at 3.917268 1.940977 2.888787 ESP Fit Center 2616 is at 3.709394 2.301026 2.888787 ESP Fit Center 2617 is at 3.390912 2.568264 2.888787 ESP Fit Center 2618 is at 3.000236 2.710458 2.888787 ESP Fit Center 2619 is at 2.584488 2.710458 2.888787 ESP Fit Center 2620 is at 2.193812 2.568264 2.888787 ESP Fit Center 2621 is at 1.875330 2.301026 2.888787 ESP Fit Center 2622 is at 3.000236 0.352631 2.888787 ESP Fit Center 2623 is at 3.390912 0.494825 2.888787 ESP Fit Center 2624 is at 3.709394 0.762063 2.888787 ESP Fit Center 2625 is at 3.917268 1.122112 2.888787 ESP Fit Center 2626 is at 4.293478 1.531544 2.584771 ESP Fit Center 2627 is at 4.232673 1.954458 2.584771 ESP Fit Center 2628 is at 4.055181 2.343109 2.584771 ESP Fit Center 2629 is at 3.775384 2.666013 2.584771 ESP Fit Center 2630 is at 3.415948 2.897008 2.584771 ESP Fit Center 2631 is at 3.005993 3.017382 2.584771 ESP Fit Center 2632 is at 2.578731 3.017382 2.584771 ESP Fit Center 2633 is at 2.168776 2.897008 2.584771 ESP Fit Center 2634 is at 1.809340 2.666013 2.584771 ESP Fit Center 2635 is at 3.005993 0.045707 2.584771 ESP Fit Center 2636 is at 3.415948 0.166081 2.584771 ESP Fit Center 2637 is at 3.775384 0.397076 2.584771 ESP Fit Center 2638 is at 4.055181 0.719980 2.584771 ESP Fit Center 2639 is at 4.232673 1.108631 2.584771 ESP Fit Center 2640 is at 4.522222 1.531544 2.220728 ESP Fit Center 2641 is at 4.471956 1.945527 2.220728 ESP Fit Center 2642 is at 4.324077 2.335451 2.220728 ESP Fit Center 2643 is at 4.087181 2.678654 2.220728 ESP Fit Center 2644 is at 3.775035 2.955191 2.220728 ESP Fit Center 2645 is at 3.405779 3.148992 2.220728 ESP Fit Center 2646 is at 3.000874 3.248792 2.220728 ESP Fit Center 2647 is at 2.583850 3.248792 2.220728 ESP Fit Center 2648 is at 2.178945 3.148992 2.220728 ESP Fit Center 2649 is at 1.809689 2.955191 2.220728 ESP Fit Center 2650 is at 3.405779 -0.085903 2.220728 ESP Fit Center 2651 is at 3.775035 0.107897 2.220728 ESP Fit Center 2652 is at 4.087181 0.384435 2.220728 ESP Fit Center 2653 is at 4.324077 0.727638 2.220728 ESP Fit Center 2654 is at 4.471956 1.117562 2.220728 ESP Fit Center 2655 is at 4.664224 1.531544 1.814911 ESP Fit Center 2656 is at 4.617292 1.948073 1.814911 ESP Fit Center 2657 is at 4.478851 2.343715 1.814911 ESP Fit Center 2658 is at 4.255842 2.698631 1.814911 ESP Fit Center 2659 is at 3.959449 2.995025 1.814911 ESP Fit Center 2660 is at 3.604532 3.218033 1.814911 ESP Fit Center 2661 is at 3.208890 3.356475 1.814911 ESP Fit Center 2662 is at 2.792362 3.403406 1.814911 ESP Fit Center 2663 is at 2.375834 3.356475 1.814911 ESP Fit Center 2664 is at 1.980192 3.218033 1.814911 ESP Fit Center 2665 is at 3.959449 0.068064 1.814911 ESP Fit Center 2666 is at 4.255842 0.364458 1.814911 ESP Fit Center 2667 is at 4.478851 0.719374 1.814911 ESP Fit Center 2668 is at 4.617292 1.115016 1.814911 ESP Fit Center 2669 is at 4.712362 1.531544 1.387671 ESP Fit Center 2670 is at 4.667473 1.944288 1.387671 ESP Fit Center 2671 is at 4.534907 2.337731 1.387671 ESP Fit Center 2672 is at 4.320861 2.693479 1.387671 ESP Fit Center 2673 is at 4.035344 2.994896 1.387671 ESP Fit Center 2674 is at 3.691706 3.227888 1.387671 ESP Fit Center 2675 is at 3.306016 3.381560 1.387671 ESP Fit Center 2676 is at 2.896309 3.448729 1.387671 ESP Fit Center 2677 is at 2.481740 3.426251 1.387671 ESP Fit Center 2678 is at 4.320861 0.369610 1.387671 ESP Fit Center 2679 is at 4.534907 0.725357 1.387671 ESP Fit Center 2680 is at 4.667473 1.118801 1.387671 ESP Fit Center 2681 is at 4.664224 1.531544 0.960431 ESP Fit Center 2682 is at 4.617292 1.948073 0.960431 ESP Fit Center 2683 is at 4.478851 2.343715 0.960431 ESP Fit Center 2684 is at 4.255842 2.698631 0.960431 ESP Fit Center 2685 is at 3.959449 2.995025 0.960431 ESP Fit Center 2686 is at 3.604532 3.218033 0.960431 ESP Fit Center 2687 is at 3.208890 3.356475 0.960431 ESP Fit Center 2688 is at 4.617292 1.115016 0.960431 ESP Fit Center 2689 is at 4.471956 1.945527 0.554614 ESP Fit Center 2690 is at 4.324077 2.335451 0.554614 ESP Fit Center 2691 is at 4.087181 2.678654 0.554614 ESP Fit Center 2692 is at 3.775035 2.955191 0.554614 ESP Fit Center 2693 is at 2.143277 3.499379 1.109313 ESP Fit Center 2694 is at 1.716015 3.499379 1.109313 ESP Fit Center 2695 is at 1.306060 3.379006 1.109313 ESP Fit Center 2696 is at 2.912319 3.437189 0.745270 ESP Fit Center 2697 is at 2.543063 3.630990 0.745270 ESP Fit Center 2698 is at 2.138158 3.730790 0.745270 ESP Fit Center 2699 is at 1.721135 3.730790 0.745270 ESP Fit Center 2700 is at 1.316229 3.630990 0.745270 ESP Fit Center 2701 is at 3.096733 3.477022 0.339453 ESP Fit Center 2702 is at 2.741817 3.700031 0.339453 ESP Fit Center 2703 is at 2.346175 3.838472 0.339453 ESP Fit Center 2704 is at 1.929646 3.885404 0.339453 ESP Fit Center 2705 is at 1.513118 3.838472 0.339453 ESP Fit Center 2706 is at 3.458145 3.175477 -0.087787 ESP Fit Center 2707 is at 3.172628 3.476893 -0.087787 ESP Fit Center 2708 is at 2.828990 3.709885 -0.087787 ESP Fit Center 2709 is at 2.443301 3.863558 -0.087787 ESP Fit Center 2710 is at 2.033593 3.930726 -0.087787 ESP Fit Center 2711 is at 1.619025 3.908249 -0.087787 ESP Fit Center 2712 is at 3.616135 2.825712 -0.515027 ESP Fit Center 2713 is at 3.393127 3.180629 -0.515027 ESP Fit Center 2714 is at 3.096733 3.477022 -0.515027 ESP Fit Center 2715 is at 2.741817 3.700031 -0.515027 ESP Fit Center 2716 is at 2.346175 3.838472 -0.515027 ESP Fit Center 2717 is at 1.929646 3.885404 -0.515027 ESP Fit Center 2718 is at 1.513118 3.838472 -0.515027 ESP Fit Center 2719 is at 3.609240 2.427525 -0.920844 ESP Fit Center 2720 is at 3.461361 2.817448 -0.920844 ESP Fit Center 2721 is at 3.224465 3.160652 -0.920844 ESP Fit Center 2722 is at 2.912319 3.437189 -0.920844 ESP Fit Center 2723 is at 2.543063 3.630990 -0.920844 ESP Fit Center 2724 is at 2.138158 3.730790 -0.920844 ESP Fit Center 2725 is at 1.721135 3.730790 -0.920844 ESP Fit Center 2726 is at 1.316229 3.630990 -0.920844 ESP Fit Center 2727 is at 3.369957 2.436456 -1.284888 ESP Fit Center 2728 is at 3.192466 2.825107 -1.284888 ESP Fit Center 2729 is at 2.912668 3.148010 -1.284888 ESP Fit Center 2730 is at 2.553233 3.379006 -1.284888 ESP Fit Center 2731 is at 2.143277 3.499379 -1.284888 ESP Fit Center 2732 is at 1.716015 3.499379 -1.284888 ESP Fit Center 2733 is at 1.306060 3.379006 -1.284888 ESP Fit Center 2734 is at 3.126747 2.013542 -1.588904 ESP Fit Center 2735 is at 3.054553 2.422975 -1.588904 ESP Fit Center 2736 is at 2.846678 2.783023 -1.588904 ESP Fit Center 2737 is at 2.528196 3.050262 -1.588904 ESP Fit Center 2738 is at 2.137521 3.192456 -1.588904 ESP Fit Center 2739 is at 1.721772 3.192456 -1.588904 ESP Fit Center 2740 is at 1.331096 3.050262 -1.588904 ESP Fit Center 2741 is at 2.762703 2.013542 -1.817647 ESP Fit Center 2742 is at 2.651095 2.430071 -1.817647 ESP Fit Center 2743 is at 2.346175 2.734990 -1.817647 ESP Fit Center 2744 is at 1.929646 2.846599 -1.817647 ESP Fit Center 2745 is at 1.513118 2.734990 -1.817647 ESP Fit Center 2746 is at 2.651095 1.597014 -1.817647 ESP Fit Center 2747 is at 2.356886 2.013542 -1.959649 ESP Fit Center 2748 is at 2.143266 2.383543 -1.959649 ESP Fit Center 2749 is at -1.453700 3.163752 1.563569 ESP Fit Center 2750 is at -1.634323 3.476600 1.342197 ESP Fit Center 2751 is at -1.669178 3.822319 1.067040 ESP Fit Center 2752 is at -2.031172 3.594864 1.067040 ESP Fit Center 2753 is at -1.555242 4.166409 0.744871 ESP Fit Center 2754 is at -1.932985 3.993899 0.744871 ESP Fit Center 2755 is at -1.663616 4.362835 0.383626 ESP Fit Center 2756 is at -2.043671 4.185613 0.383626 ESP Fit Center 2757 is at -1.471183 4.591477 -0.007803 ESP Fit Center 2758 is at -1.872307 4.453771 -0.007803 ESP Fit Center 2759 is at -2.245295 4.251920 -0.007803 ESP Fit Center 2760 is at -0.840812 4.768959 -0.419776 ESP Fit Center 2761 is at -1.257985 4.736126 -0.419776 ESP Fit Center 2762 is at -1.664886 4.638438 -0.419776 ESP Fit Center 2763 is at -2.051496 4.478299 -0.419776 ESP Fit Center 2764 is at -2.408294 4.259653 -0.419776 ESP Fit Center 2765 is at -0.326756 4.752812 -0.842149 ESP Fit Center 2766 is at -0.737395 4.800219 -0.842149 ESP Fit Center 2767 is at -1.150458 4.784386 -0.842149 ESP Fit Center 2768 is at -1.556263 4.705684 -0.842149 ESP Fit Center 2769 is at -1.945298 4.565960 -0.842149 ESP Fit Center 2770 is at -2.308445 4.368487 -0.842149 ESP Fit Center 2771 is at -2.637192 4.117894 -0.842149 ESP Fit Center 2772 is at 0.369871 4.478299 -1.264522 ESP Fit Center 2773 is at -0.016739 4.638438 -1.264522 ESP Fit Center 2774 is at -0.423640 4.736126 -1.264522 ESP Fit Center 2775 is at -0.840812 4.768959 -1.264522 ESP Fit Center 2776 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1.101275 -2.429169 ESP Fit Center 2795 is at -2.702133 1.677366 -2.751337 ESP Fit Center 2796 is at -2.560932 1.273834 -2.751337 ESP Fit Center 2797 is at 0.352914 -0.370272 -3.468456 ESP Fit Center 2798 is at 0.157200 1.413844 -3.630591 ESP Fit Center 2799 is at -0.259973 1.525625 -3.630591 ESP Fit Center 2800 is at -0.677146 1.413844 -3.630591 ESP Fit Center 2801 is at 0.162400 0.691279 -3.729497 ESP Fit Center 2802 is at -0.048787 1.057065 -3.729497 ESP Fit Center 2803 is at -0.471160 1.057065 -3.729497 ESP Fit Center 2804 is at -2.084812 3.246424 1.345392 ESP Fit Center 2805 is at -2.476444 3.103882 1.345392 ESP Fit Center 2806 is at -2.795706 2.835989 1.345392 ESP Fit Center 2807 is at -3.004089 2.475059 1.345392 ESP Fit Center 2808 is at -2.387907 3.503786 1.076769 ESP Fit Center 2809 is at -2.757221 3.312423 1.076769 ESP Fit Center 2810 is at -3.061212 3.028516 1.076769 ESP Fit Center 2811 is at -3.277332 2.673122 1.076769 ESP Fit Center 2812 is at -3.389553 2.272598 1.076769 ESP Fit Center 2813 is at -2.391520 3.785148 0.749450 ESP Fit Center 2814 is at -2.774416 3.619983 0.749450 ESP Fit Center 2815 is at -3.108901 3.370968 0.749450 ESP Fit Center 2816 is at -3.376943 3.051528 0.749450 ESP Fit Center 2817 is at -3.564092 2.678883 0.749450 ESP Fit Center 2818 is at -3.660259 2.273124 0.749450 ESP Fit Center 2819 is at -3.660259 1.856124 0.749450 ESP Fit Center 2820 is at -2.493097 3.962533 0.376014 ESP Fit Center 2821 is at -2.874218 3.792846 0.376014 ESP Fit Center 2822 is at -3.211732 3.547628 0.376014 ESP Fit Center 2823 is at -3.490886 3.237596 0.376014 ESP Fit Center 2824 is at -3.699481 2.876299 0.376014 ESP Fit Center 2825 is at -3.828400 2.479528 0.376014 ESP Fit Center 2826 is at -3.872008 2.064624 0.376014 ESP Fit Center 2827 is at -3.828400 1.649719 0.376014 ESP Fit Center 2828 is at -2.687142 4.021859 -0.029187 ESP Fit Center 2829 is at -3.053402 3.826089 -0.029187 ESP Fit Center 2830 is at -3.374431 3.562627 -0.029187 ESP Fit Center 2831 is at -3.637894 3.241597 -0.029187 ESP Fit Center 2832 is at -3.833664 2.875337 -0.029187 ESP Fit Center 2833 is at -3.954218 2.477922 -0.029187 ESP Fit Center 2834 is at -3.994925 2.064624 -0.029187 ESP Fit Center 2835 is at -3.954218 1.651326 -0.029187 ESP Fit Center 2836 is at -2.956428 3.935239 -0.450582 ESP Fit Center 2837 is at -3.290928 3.697043 -0.450582 ESP Fit Center 2838 is at -3.574303 3.399847 -0.450582 ESP Fit Center 2839 is at -3.796313 3.054393 -0.450582 ESP Fit Center 2840 is at -3.948933 2.673166 -0.450582 ESP Fit Center 2841 is at -4.026648 2.269945 -0.450582 ESP Fit Center 2842 is at -4.026648 1.859303 -0.450582 ESP Fit Center 2843 is at -3.053402 3.826089 -0.871977 ESP Fit Center 2844 is at -3.374431 3.562627 -0.871977 ESP Fit Center 2845 is at -3.637894 3.241597 -0.871977 ESP Fit Center 2846 is at -3.833664 2.875337 -0.871977 ESP Fit Center 2847 is at -3.954218 2.477922 -0.871977 ESP Fit Center 2848 is at -3.994925 2.064624 -0.871977 ESP Fit Center 2849 is at -3.954218 1.651326 -0.871977 ESP Fit Center 2850 is at -3.211732 3.547628 -1.277178 ESP Fit Center 2851 is at -3.490886 3.237596 -1.277178 ESP Fit Center 2852 is at -3.699481 2.876299 -1.277178 ESP Fit Center 2853 is at -3.828400 2.479528 -1.277178 ESP Fit Center 2854 is at -3.872008 2.064624 -1.277178 ESP Fit Center 2855 is at -3.828400 1.649719 -1.277178 ESP Fit Center 2856 is at -3.108901 3.370968 -1.650614 ESP Fit Center 2857 is at -3.376943 3.051528 -1.650614 ESP Fit Center 2858 is at -3.564092 2.678883 -1.650614 ESP Fit Center 2859 is at -3.660259 2.273124 -1.650614 ESP Fit Center 2860 is at -3.660259 1.856124 -1.650614 ESP Fit Center 2861 is at -3.277332 2.673122 -1.977933 ESP Fit Center 2862 is at -3.389553 2.272598 -1.977933 ESP Fit Center 2863 is at -3.389553 1.856649 -1.977933 ESP Fit Center 2864 is at -0.884228 4.748662 -1.396689 ESP Fit Center 2865 is at -1.297526 4.707956 -1.396689 ESP Fit Center 2866 is at 0.679038 4.120737 -1.818085 ESP Fit Center 2867 is at 0.368695 4.389650 -1.818085 ESP Fit Center 2868 is at 0.013069 4.594971 -1.818085 ESP Fit Center 2869 is at -0.374988 4.729279 -1.818085 ESP Fit Center 2870 is at -0.781451 4.787720 -1.818085 ESP Fit Center 2871 is at -1.191628 4.768180 -1.818085 ESP Fit Center 2872 is at -1.590694 4.671368 -1.818085 ESP Fit Center 2873 is at -1.964228 4.500781 -1.818085 ESP Fit Center 2874 is at -2.298727 4.262585 -1.818085 ESP Fit Center 2875 is at -2.582102 3.965390 -1.818085 ESP Fit Center 2876 is at 1.073008 3.440879 -2.239480 ESP Fit Center 2877 is at 0.877238 3.807140 -2.239480 ESP Fit Center 2878 is at 0.613775 4.128169 -2.239480 ESP Fit Center 2879 is at 0.292746 4.391631 -2.239480 ESP Fit Center 2880 is at -0.073514 4.587401 -2.239480 ESP Fit Center 2881 is at -0.470930 4.707956 -2.239480 ESP Fit Center 2882 is at -0.884228 4.748662 -2.239480 ESP Fit Center 2883 is at -1.297526 4.707956 -2.239480 ESP Fit Center 2884 is at -1.694941 4.587401 -2.239480 ESP Fit Center 2885 is at -2.061201 4.391631 -2.239480 ESP Fit Center 2886 is at -2.382231 4.128169 -2.239480 ESP Fit Center 2887 is at -2.645693 3.807140 -2.239480 ESP Fit Center 2888 is at -2.841463 3.440879 -2.239480 ESP Fit Center 2889 is at -2.962018 3.043464 -2.239480 ESP Fit Center 2890 is at 1.067744 3.045070 -2.644681 ESP Fit Center 2891 is at 0.938825 3.441842 -2.644681 ESP Fit Center 2892 is at 0.730230 3.803138 -2.644681 ESP Fit Center 2893 is at 0.451076 4.113171 -2.644681 ESP Fit Center 2894 is at 0.113562 4.358389 -2.644681 ESP Fit Center 2895 is at -0.267560 4.528075 -2.644681 ESP Fit Center 2896 is at -0.675633 4.614814 -2.644681 ESP Fit Center 2897 is at -1.092823 4.614814 -2.644681 ESP Fit Center 2898 is at -1.500896 4.528075 -2.644681 ESP Fit Center 2899 is at -1.882018 4.358389 -2.644681 ESP Fit Center 2900 is at -2.219531 4.113171 -2.644681 ESP Fit Center 2901 is at -2.498686 3.803138 -2.644681 ESP Fit Center 2902 is at -2.707280 3.441842 -2.644681 ESP Fit Center 2903 is at -2.836199 3.045070 -2.644681 ESP Fit Center 2904 is at -2.879807 2.630166 -2.644681 ESP Fit Center 2905 is at 0.911747 2.630166 -3.018116 ESP Fit Center 2906 is at 0.863336 3.044346 -3.018116 ESP Fit Center 2907 is at 0.720714 3.436198 -3.018116 ESP Fit Center 2908 is at 0.491569 3.784596 -3.018116 ESP Fit Center 2909 is at 0.188254 4.070759 -3.018116 ESP Fit Center 2910 is at -0.172879 4.279259 -3.018116 ESP Fit Center 2911 is at -0.572360 4.398856 -3.018116 ESP Fit Center 2912 is at -0.988654 4.423102 -3.018116 ESP Fit Center 2913 is at -1.399319 4.350691 -3.018116 ESP Fit Center 2914 is at -1.782215 4.185526 -3.018116 ESP Fit Center 2915 is at -2.116700 3.936511 -3.018116 ESP Fit Center 2916 is at -2.384742 3.617070 -3.018116 ESP Fit Center 2917 is at -2.571891 3.244426 -3.018116 ESP Fit Center 2918 is at -2.668058 2.838666 -3.018116 ESP Fit Center 2919 is at -2.668058 2.421666 -3.018116 ESP Fit Center 2920 is at -2.571891 2.015907 -3.018116 ESP Fit Center 2921 is at -2.384742 1.643262 -3.018116 ESP Fit Center 2922 is at 0.643123 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ESP Fit Center 2959 is at -1.297526 3.346019 -3.813664 ESP Fit Center 2960 is at -1.600081 3.043464 -3.813664 ESP Fit Center 2961 is at -1.710824 2.630166 -3.813664 ESP Fit Center 2962 is at -1.600081 2.216868 -3.813664 ESP Fit Center 2963 is at -1.297526 1.914313 -3.813664 ESP Fit Center 2964 is at -0.884228 1.803570 -3.813664 ESP Fit Center 2965 is at -0.470930 1.914313 -3.813664 ESP Fit Center 2966 is at -0.168374 2.216868 -3.813664 ESP Fit Center 2967 is at -0.462833 2.630166 -3.936581 ESP Fit Center 2968 is at -0.673530 2.995105 -3.936581 ESP Fit Center 2969 is at -1.094925 2.995105 -3.936581 ESP Fit Center 2970 is at -1.305623 2.630166 -3.936581 ESP Fit Center 2971 is at -1.094925 2.265227 -3.936581 ESP Fit Center 2972 is at -0.673530 2.265227 -3.936581 ESP Fit Center 2973 is at -0.884228 2.630166 -3.978085 ESP Fit Center 2974 is at -0.220176 3.533968 1.842059 ESP Fit Center 2975 is at -0.633474 3.423225 1.842059 ESP Fit Center 2976 is at -0.936029 3.120670 1.842059 ESP Fit Center 2977 is at 0.699101 3.478737 1.642454 ESP Fit Center 2978 is at 0.379840 3.746629 1.642454 ESP Fit Center 2979 is at -0.011793 3.889172 1.642454 ESP Fit Center 2980 is at -0.428559 3.889172 1.642454 ESP Fit Center 2981 is at -0.820192 3.746629 1.642454 ESP Fit Center 2982 is at -1.139454 3.478737 1.642454 ESP Fit Center 2983 is at -1.347837 3.117807 1.642454 ESP Fit Center 2984 is at 1.084822 3.500958 1.373830 ESP Fit Center 2985 is at 0.822322 3.823614 1.373830 ESP Fit Center 2986 is at 0.482505 4.063484 1.373830 ESP Fit Center 2987 is at 0.090573 4.202776 1.373830 ESP Fit Center 2988 is at -0.324406 4.231162 1.373830 ESP Fit Center 2989 is at -0.731655 4.146534 1.373830 ESP Fit Center 2990 is at -1.100969 3.955171 1.373830 ESP Fit Center 2991 is at -1.404959 3.671264 1.373830 ESP Fit Center 2992 is at 1.155620 3.861802 1.046511 ESP Fit Center 2993 is at 0.852305 4.147964 1.046511 ESP Fit Center 2994 is at 0.491173 4.356464 1.046511 ESP Fit Center 2995 is at 0.091692 4.476061 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1.137979 -3.315325 ESP Fit Center 3088 is at -2.325461 0.782585 -3.315325 ESP Fit Center 3089 is at -2.437683 0.382061 -3.315325 ESP Fit Center 3090 is at -2.437683 -0.033888 -3.315325 ESP Fit Center 3091 is at -2.325461 -0.434412 -3.315325 ESP Fit Center 3092 is at -2.109341 -0.789806 -3.315325 ESP Fit Center 3093 is at -1.805351 -1.073713 -3.315325 ESP Fit Center 3094 is at -1.436037 -1.265076 -3.315325 ESP Fit Center 3095 is at -1.028788 -1.349703 -3.315325 ESP Fit Center 3096 is at -0.613809 -1.321318 -3.315325 ESP Fit Center 3097 is at -0.221878 -1.182025 -3.315325 ESP Fit Center 3098 is at 0.117940 -0.942156 -3.315325 ESP Fit Center 3099 is at -1.132941 1.355887 -3.583948 ESP Fit Center 3100 is at -1.524574 1.213345 -3.583948 ESP Fit Center 3101 is at -1.843836 0.945452 -3.583948 ESP Fit Center 3102 is at -2.052219 0.584522 -3.583948 ESP Fit Center 3103 is at -2.124590 0.174087 -3.583948 ESP Fit Center 3104 is at -2.052219 -0.236348 -3.583948 ESP Fit Center 3105 is at -1.843836 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1.767479 ESP Fit Center 3142 is at -2.482642 -3.005459 1.767479 ESP Fit Center 3143 is at -2.071598 -2.946360 1.767479 ESP Fit Center 3144 is at -3.789436 -2.907000 1.406233 ESP Fit Center 3145 is at -3.409381 -3.084222 1.406233 ESP Fit Center 3146 is at -3.991060 1.326133 1.014805 ESP Fit Center 3147 is at -3.991060 -2.973307 1.014805 ESP Fit Center 3148 is at -3.797261 1.552512 0.602832 ESP Fit Center 3149 is at -4.154059 1.333866 0.602832 ESP Fit Center 3150 is at -4.472261 1.062096 0.602832 ESP Fit Center 3151 is at -4.154059 -2.981040 0.602832 ESP Fit Center 3152 is at -4.054210 1.442700 0.180459 ESP Fit Center 3153 is at -4.382957 1.192107 0.180459 ESP Fit Center 3154 is at -4.669598 0.894267 0.180459 ESP Fit Center 3155 is at -4.669598 -2.541442 0.180459 ESP Fit Center 3156 is at -4.382957 -2.839281 0.180459 ESP Fit Center 3157 is at -4.962677 0.387096 -0.241914 ESP Fit Center 3158 is at -4.962677 -2.034270 -0.241914 ESP Fit Center 3159 is at -4.744030 -2.391068 -0.241914 ESP Fit Center 3160 is at -4.472261 -2.709270 -0.241914 ESP Fit Center 3161 is at -5.015297 0.010193 -0.653887 ESP Fit Center 3162 is at -5.119408 -0.400932 -0.653887 ESP Fit Center 3163 is at -5.154430 -0.823587 -0.653887 ESP Fit Center 3164 is at -5.119408 -1.246242 -0.653887 ESP Fit Center 3165 is at -5.015297 -1.657367 -0.653887 ESP Fit Center 3166 is at -4.844936 -2.045750 -0.653887 ESP Fit Center 3167 is at -4.612974 -2.400795 -0.653887 ESP Fit Center 3168 is at -4.992295 -0.823587 -1.045315 ESP Fit Center 3169 is at -4.955747 -1.241336 -1.045315 ESP Fit Center 3170 is at -4.847213 -1.646391 -1.045315 ESP Fit Center 3171 is at -4.669990 -2.026446 -1.045315 ESP Fit Center 3172 is at -4.429464 -2.369953 -1.045315 ESP Fit Center 3173 is at -4.761032 -1.031222 -1.406561 ESP Fit Center 3174 is at -4.682442 -1.438988 -1.406561 ESP Fit Center 3175 is at -4.528102 -1.824512 -1.406561 ESP Fit Center 3176 is at -4.303589 -2.173860 -1.406561 ESP Fit Center 3177 is at -4.447898 -1.248421 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ESP Fit Center 3196 is at -1.487375 1.932511 3.126269 ESP Fit Center 3197 is at -1.904142 1.932511 3.126269 ESP Fit Center 3198 is at -2.295774 1.789969 3.126269 ESP Fit Center 3199 is at -2.615036 1.522076 3.126269 ESP Fit Center 3200 is at -2.823419 1.161146 3.126269 ESP Fit Center 3201 is at -2.895790 0.750711 3.126269 ESP Fit Center 3202 is at -1.385010 2.246115 2.857646 ESP Fit Center 3203 is at -1.799988 2.274501 2.857646 ESP Fit Center 3204 is at -2.207237 2.189874 2.857646 ESP Fit Center 3205 is at -2.576551 1.998510 2.857646 ESP Fit Center 3206 is at -2.880541 1.714603 2.857646 ESP Fit Center 3207 is at -3.096662 1.359209 2.857646 ESP Fit Center 3208 is at -3.208883 0.958685 2.857646 ESP Fit Center 3209 is at -3.208883 0.542736 2.857646 ESP Fit Center 3210 is at -1.383891 2.519400 2.530327 ESP Fit Center 3211 is at -1.800185 2.543647 2.530327 ESP Fit Center 3212 is at -2.210850 2.471235 2.530327 ESP Fit Center 3213 is at -2.593745 2.306070 2.530327 ESP Fit Center 3214 is at 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ESP Fit Center 3233 is at -3.457223 1.927684 1.751690 ESP Fit Center 3234 is at -3.652994 1.561424 1.751690 ESP Fit Center 3235 is at -3.773548 1.164009 1.751690 ESP Fit Center 3236 is at -3.110257 2.383130 1.330295 ESP Fit Center 3237 is at -3.393633 2.085934 1.330295 ESP Fit Center 3238 is at -3.615643 1.740480 1.330295 ESP Fit Center 3239 is at -3.768263 1.359253 1.330295 ESP Fit Center 3240 is at -3.652994 1.561424 0.908900 ESP Fit Center 3241 is at -1.233567 -0.874789 4.013153 ESP Fit Center 3242 is at -0.812172 -0.874789 3.971649 ESP Fit Center 3243 is at -1.022869 -0.509851 3.971649 ESP Fit Center 3244 is at -1.444264 -0.509851 3.971649 ESP Fit Center 3245 is at -1.654962 -0.874789 3.971649 ESP Fit Center 3246 is at -1.444264 -1.239728 3.971649 ESP Fit Center 3247 is at -1.022869 -1.239728 3.971649 ESP Fit Center 3248 is at -0.406970 -0.874789 3.848733 ESP Fit Center 3249 is at -0.517713 -0.461491 3.848733 ESP Fit Center 3250 is at -0.820269 -0.158936 3.848733 ESP Fit Center 3251 is at -1.233567 -0.048193 3.848733 ESP Fit Center 3252 is at -1.646865 -0.158936 3.848733 ESP Fit Center 3253 is at -1.949420 -0.461491 3.848733 ESP Fit Center 3254 is at -2.060163 -0.874789 3.848733 ESP Fit Center 3255 is at -1.949420 -1.288087 3.848733 ESP Fit Center 3256 is at -1.646865 -1.590643 3.848733 ESP Fit Center 3257 is at -1.233567 -1.701386 3.848733 ESP Fit Center 3258 is at -0.820269 -1.590643 3.848733 ESP Fit Center 3259 is at -0.517713 -1.288087 3.848733 ESP Fit Center 3260 is at -0.033535 -0.874789 3.649128 ESP Fit Center 3261 is at -0.105906 -0.464354 3.649128 ESP Fit Center 3262 is at -0.314289 -0.103424 3.649128 ESP Fit Center 3263 is at -0.633551 0.164469 3.649128 ESP Fit Center 3264 is at -1.025183 0.307011 3.649128 ESP Fit Center 3265 is at -1.441950 0.307011 3.649128 ESP Fit Center 3266 is at -1.833582 0.164469 3.649128 ESP Fit Center 3267 is at -2.152844 -0.103424 3.649128 ESP Fit Center 3268 is at -2.361228 -0.464354 3.649128 ESP Fit Center 3269 is at 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2.679749 ESP Fit Center 3306 is at -1.442162 -2.859437 2.679749 ESP Fit Center 3307 is at -1.024972 -2.859437 2.679749 ESP Fit Center 3308 is at -0.616899 -2.772699 2.679749 ESP Fit Center 3309 is at -2.410540 -2.636255 2.274548 ESP Fit Center 3310 is at -2.044280 -2.832025 2.274548 ESP Fit Center 3311 is at -1.646865 -2.952579 2.274548 ESP Fit Center 3312 is at -1.233567 -2.993286 2.274548 ESP Fit Center 3313 is at -1.940033 -2.915991 1.853153 ESP Fit Center 3314 is at -1.540967 -3.012804 1.853153 ESP Fit Center 3315 is at -4.034132 1.558122 -0.275394 ESP Fit Center 3316 is at -4.355161 1.294660 -0.275394 ESP Fit Center 3317 is at -4.618624 0.973630 -0.275394 ESP Fit Center 3318 is at -4.271658 1.429076 -0.696789 ESP Fit Center 3319 is at -4.555033 1.131880 -0.696789 ESP Fit Center 3320 is at -4.777043 0.786426 -0.696789 ESP Fit Center 3321 is at -4.929663 0.405199 -0.696789 ESP Fit Center 3322 is at -5.007378 0.001978 -0.696789 ESP Fit Center 3323 is at -4.034132 1.558122 -1.118184 ESP Fit Center 3324 is at -4.355161 1.294660 -1.118184 ESP Fit Center 3325 is at -4.618624 0.973630 -1.118184 ESP Fit Center 3326 is at -4.814394 0.607370 -1.118184 ESP Fit Center 3327 is at -4.934948 0.209955 -1.118184 ESP Fit Center 3328 is at -4.975655 -0.203343 -1.118184 ESP Fit Center 3329 is at -3.854948 1.524879 -1.523385 ESP Fit Center 3330 is at -4.192462 1.279661 -1.523385 ESP Fit Center 3331 is at -4.471616 0.969629 -1.523385 ESP Fit Center 3332 is at -4.680211 0.608332 -1.523385 ESP Fit Center 3333 is at -4.809130 0.211561 -1.523385 ESP Fit Center 3334 is at -4.852738 -0.203343 -1.523385 ESP Fit Center 3335 is at -4.809130 -0.618248 -1.523385 ESP Fit Center 3336 is at -4.680211 -1.015019 -1.523385 ESP Fit Center 3337 is at -3.755146 1.352016 -1.896821 ESP Fit Center 3338 is at -4.089631 1.103001 -1.896821 ESP Fit Center 3339 is at -4.357673 0.783561 -1.896821 ESP Fit Center 3340 is at -4.544822 0.410916 -1.896821 ESP Fit Center 3341 is at -4.640989 0.005156 -1.896821 ESP Fit Center 3342 is at -4.640989 -0.411843 -1.896821 ESP Fit Center 3343 is at -4.544822 -0.817603 -1.896821 ESP Fit Center 3344 is at -4.357673 -1.190248 -1.896821 ESP Fit Center 3345 is at -3.368637 1.235819 -2.224140 ESP Fit Center 3346 is at -3.737951 1.044456 -2.224140 ESP Fit Center 3347 is at -4.041941 0.760549 -2.224140 ESP Fit Center 3348 is at -4.258062 0.405155 -2.224140 ESP Fit Center 3349 is at -4.370283 0.004631 -2.224140 ESP Fit Center 3350 is at -4.370283 -0.411318 -2.224140 ESP Fit Center 3351 is at -4.258062 -0.811842 -2.224140 ESP Fit Center 3352 is at -4.041941 -1.167236 -2.224140 ESP Fit Center 3353 is at -3.737951 -1.451143 -2.224140 ESP Fit Center 3354 is at -3.065542 0.978457 -2.492764 ESP Fit Center 3355 is at -3.457174 0.835914 -2.492764 ESP Fit Center 3356 is at -3.776436 0.568022 -2.492764 ESP Fit Center 3357 is at -3.984819 0.207092 -2.492764 ESP Fit Center 3358 is at -4.057190 -0.203343 -2.492764 ESP Fit Center 3359 is at -3.984819 -0.613778 -2.492764 ESP Fit Center 3360 is at -3.776436 -0.974709 -2.492764 ESP Fit Center 3361 is at -3.457174 -1.242601 -2.492764 ESP Fit Center 3362 is at -3.065542 -1.385144 -2.492764 ESP Fit Center 3363 is at -2.648775 -1.385144 -2.492764 ESP Fit Center 3364 is at -2.857158 0.623253 -2.692369 ESP Fit Center 3365 is at -3.270456 0.512510 -2.692369 ESP Fit Center 3366 is at -3.573012 0.209955 -2.692369 ESP Fit Center 3367 is at -3.683755 -0.203343 -2.692369 ESP Fit Center 3368 is at -3.573012 -0.616642 -2.692369 ESP Fit Center 3369 is at -3.270456 -0.919197 -2.692369 ESP Fit Center 3370 is at -2.857158 -1.029940 -2.692369 ESP Fit Center 3371 is at -3.067856 0.161595 -2.815285 ESP Fit Center 3372 is at -3.278553 -0.203343 -2.815285 ESP Fit Center 3373 is at -3.067856 -0.568282 -2.815285 ESP Fit Center 3374 is at -2.857158 -0.203343 -2.856789 ESP Fit Center 3375 is at -3.466150 -0.834909 3.018248 ESP Fit Center 3376 is at -3.255453 -0.469970 2.976744 ESP Fit Center 3377 is at -3.676848 -0.469970 2.976744 ESP Fit Center 3378 is at -3.887545 -0.834909 2.976744 ESP Fit Center 3379 is at -3.676848 -1.199848 2.976744 ESP Fit Center 3380 is at -3.255453 -1.199848 2.976744 ESP Fit Center 3381 is at -3.466150 -0.008312 2.853827 ESP Fit Center 3382 is at -3.879448 -0.119055 2.853827 ESP Fit Center 3383 is at -4.182004 -0.421611 2.853827 ESP Fit Center 3384 is at -4.292747 -0.834909 2.853827 ESP Fit Center 3385 is at -4.182004 -1.248207 2.853827 ESP Fit Center 3386 is at -3.879448 -1.550762 2.853827 ESP Fit Center 3387 is at -3.466150 -1.661505 2.853827 ESP Fit Center 3388 is at -3.052852 -1.550762 2.853827 ESP Fit Center 3389 is at -3.674534 0.346892 2.654222 ESP Fit Center 3390 is at -4.066166 0.204349 2.654222 ESP Fit Center 3391 is at -4.385428 -0.063543 2.654222 ESP Fit Center 3392 is at -4.593811 -0.424474 2.654222 ESP Fit Center 3393 is at -4.666182 -0.834909 2.654222 ESP Fit Center 3394 is at -4.593811 -1.245344 2.654222 ESP Fit Center 3395 is at -4.385428 -1.606274 2.654222 ESP Fit Center 3396 is at -4.066166 -1.874167 2.654222 ESP Fit Center 3397 is at -3.674534 -2.016709 2.654222 ESP Fit Center 3398 is at -3.257767 -2.016709 2.654222 ESP Fit Center 3399 is at -3.977629 0.604254 2.385598 ESP Fit Center 3400 is at -4.346943 0.412891 2.385598 ESP Fit Center 3401 is at -4.650933 0.128984 2.385598 ESP Fit Center 3402 is at -4.867054 -0.226411 2.385598 ESP Fit Center 3403 is at -4.979275 -0.626934 2.385598 ESP Fit Center 3404 is at -4.979275 -1.042883 2.385598 ESP Fit Center 3405 is at -4.867054 -1.443407 2.385598 ESP Fit Center 3406 is at -4.650933 -1.798801 2.385598 ESP Fit Center 3407 is at -4.346943 -2.082708 2.385598 ESP Fit Center 3408 is at -3.977629 -2.274072 2.385598 ESP Fit Center 3409 is at -3.570380 -2.358699 2.385598 ESP Fit Center 3410 is at -3.155402 -2.330313 2.385598 ESP Fit Center 3411 is at -3.981242 0.885616 2.058279 ESP Fit Center 3412 is at -4.364138 0.720451 2.058279 ESP Fit Center 3413 is at -4.698623 0.471436 2.058279 ESP Fit Center 3414 is at 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1.279643 ESP Fit Center 3451 is at -4.546150 1.035706 0.858248 ESP Fit Center 3452 is at -4.880650 0.797510 0.858248 ESP Fit Center 3453 is at -5.164025 0.500315 0.858248 ESP Fit Center 3454 is at -5.386035 0.154861 0.858248 ESP Fit Center 3455 is at -5.538655 -0.226366 0.858248 ESP Fit Center 3456 is at -5.616370 -0.629588 0.858248 ESP Fit Center 3457 is at -5.616370 -1.040230 0.858248 ESP Fit Center 3458 is at -5.538655 -1.443451 0.858248 ESP Fit Center 3459 is at -5.386035 -1.824678 0.858248 ESP Fit Center 3460 is at -5.164025 -2.170132 0.858248 ESP Fit Center 3461 is at -4.880650 -2.467328 0.858248 ESP Fit Center 3462 is at -4.546150 -2.705524 0.858248 ESP Fit Center 3463 is at -4.643124 0.926557 0.436852 ESP Fit Center 3464 is at -4.964153 0.663094 0.436852 ESP Fit Center 3465 is at -5.227616 0.342065 0.436852 ESP Fit Center 3466 is at -5.423386 -0.024195 0.436852 ESP Fit Center 3467 is at -5.543940 -0.421611 0.436852 ESP Fit Center 3468 is at -5.584647 -0.834909 0.436852 ESP Fit Center 3469 is at -5.543940 -1.248207 0.436852 ESP Fit Center 3470 is at -5.423386 -1.645622 0.436852 ESP Fit Center 3471 is at -5.227616 -2.011882 0.436852 ESP Fit Center 3472 is at -4.964153 -2.332912 0.436852 ESP Fit Center 3473 is at -4.643124 -2.596374 0.436852 ESP Fit Center 3474 is at -5.080608 0.338064 0.031651 ESP Fit Center 3475 is at -5.289203 -0.023233 0.031651 ESP Fit Center 3476 is at -5.418122 -0.420004 0.031651 ESP Fit Center 3477 is at -5.461730 -0.834909 0.031651 ESP Fit Center 3478 is at -5.418122 -1.249813 0.031651 ESP Fit Center 3479 is at -5.289203 -1.646584 0.031651 ESP Fit Center 3480 is at -5.080608 -2.007881 0.031651 ESP Fit Center 3481 is at -5.249981 -0.626409 -0.341784 ESP Fit Center 3482 is at -5.249981 -1.043409 -0.341784 ESP Fit Center 3483 is at -2.927214 -3.309086 1.387402 ESP Fit Center 3484 is at -2.519965 -3.393713 1.387402 ESP Fit Center 3485 is at -2.104986 -3.365327 1.387402 ESP Fit Center 3486 is at -1.713054 -3.226035 1.387402 ESP Fit Center 3487 is at -3.648207 -3.176267 1.060083 ESP Fit Center 3488 is at -3.313722 -3.425282 1.060083 ESP Fit Center 3489 is at -2.930826 -3.590447 1.060083 ESP Fit Center 3490 is at -2.520162 -3.662859 1.060083 ESP Fit Center 3491 is at -2.103867 -3.638612 1.060083 ESP Fit Center 3492 is at -1.704386 -3.519015 1.060083 ESP Fit Center 3493 is at -3.751039 -3.352927 0.686647 ESP Fit Center 3494 is at -3.413525 -3.598145 0.686647 ESP Fit Center 3495 is at -3.032403 -3.767832 0.686647 ESP Fit Center 3496 is at -2.624330 -3.854570 0.686647 ESP Fit Center 3497 is at -2.207140 -3.854570 0.686647 ESP Fit Center 3498 is at -1.799067 -3.767832 0.686647 ESP Fit Center 3499 is at -4.177200 -3.046896 0.281446 ESP Fit Center 3500 is at -3.913738 -3.367926 0.281446 ESP Fit Center 3501 is at -3.592708 -3.631388 0.281446 ESP Fit Center 3502 is at -3.226448 -3.827158 0.281446 ESP Fit Center 3503 is at -2.829033 -3.947713 0.281446 ESP Fit Center 3504 is at -2.415735 -3.988419 0.281446 ESP Fit Center 3505 is at 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is at -1.605022 -3.827158 -0.561344 ESP Fit Center 3524 is at -4.238788 -2.681598 -0.966545 ESP Fit Center 3525 is at -4.030193 -3.042895 -0.966545 ESP Fit Center 3526 is at -3.751039 -3.352927 -0.966545 ESP Fit Center 3527 is at -3.413525 -3.598145 -0.966545 ESP Fit Center 3528 is at -3.032403 -3.767832 -0.966545 ESP Fit Center 3529 is at -2.624330 -3.854570 -0.966545 ESP Fit Center 3530 is at -2.207140 -3.854570 -0.966545 ESP Fit Center 3531 is at -1.799067 -3.767832 -0.966545 ESP Fit Center 3532 is at -4.103399 -2.484182 -1.339980 ESP Fit Center 3533 is at -3.916250 -2.856827 -1.339980 ESP Fit Center 3534 is at -3.648207 -3.176267 -1.339980 ESP Fit Center 3535 is at -3.313722 -3.425282 -1.339980 ESP Fit Center 3536 is at -2.930826 -3.590447 -1.339980 ESP Fit Center 3537 is at -2.520162 -3.662859 -1.339980 ESP Fit Center 3538 is at -2.103867 -3.638612 -1.339980 ESP Fit Center 3539 is at -3.816638 -2.478421 -1.667299 ESP Fit Center 3540 is at -3.600518 -2.833815 -1.667299 ESP Fit Center 3541 is at -3.296528 -3.117722 -1.667299 ESP Fit Center 3542 is at -2.927214 -3.309086 -1.667299 ESP Fit Center 3543 is at -2.519965 -3.393713 -1.667299 ESP Fit Center 3544 is at -2.104986 -3.365327 -1.667299 ESP Fit Center 3545 is at -3.543396 -2.280358 -1.935923 ESP Fit Center 3546 is at -3.335013 -2.641288 -1.935923 ESP Fit Center 3547 is at -3.015751 -2.909181 -1.935923 ESP Fit Center 3548 is at -2.624118 -3.051723 -1.935923 ESP Fit Center 3549 is at -2.207352 -3.051723 -1.935923 ESP Fit Center 3550 is at -3.131588 -2.283221 -2.135529 ESP Fit Center 3551 is at -2.829033 -2.585776 -2.135529 ESP Fit Center 3552 is at -2.415735 -2.696519 -2.135529 ESP Fit Center 3553 is at -2.626433 -2.234862 -2.258445 ESP Fit Center 3554 is at -2.205037 -2.234862 -2.258445 ESP Fit Center 3555 is at -1.159827 -3.807927 -0.202762 ESP Fit Center 3556 is at -0.796680 -4.005400 -0.202762 ESP Fit Center 3557 is at -0.407644 -4.145125 -0.202762 ESP Fit Center 3558 is at -0.001840 -4.223826 -0.202762 ESP Fit Center 3559 is at 0.411223 -4.239659 -0.202762 ESP Fit Center 3560 is at -0.516268 -4.077878 -0.625135 ESP Fit Center 3561 is at -0.109367 -4.175567 -0.625135 ESP Fit Center 3562 is at 2.120366 -3.289869 1.401464 ESP Fit Center 3563 is at 2.134449 -3.618246 1.126306 ESP Fit Center 3564 is at 2.537981 -3.477044 1.126306 ESP Fit Center 3565 is at 1.813550 -3.938797 0.804138 ESP Fit Center 3566 is at 2.224594 -3.879698 0.804138 ESP Fit Center 3567 is at 2.617025 -3.743876 0.804138 ESP Fit Center 3568 is at 3.255980 -3.599812 0.442892 ESP Fit Center 3569 is at 3.448774 -3.646156 0.051464 ESP Fit Center 3570 is at 3.867068 -3.324406 -0.360509 ESP Fit Center 3571 is at 3.918024 -3.310286 -0.782882 ESP Fit Center 3572 is at 4.129262 -2.954969 -0.782882 ESP Fit Center 3573 is at 4.283785 -2.571571 -0.782882 ESP Fit Center 3574 is at 4.376373 -1.756925 -1.205255 ESP Fit Center 3575 is at 4.343541 -1.339752 -1.205255 ESP Fit Center 3576 is at 4.245853 -0.932851 -1.205255 ESP Fit Center 3577 is at 4.085714 -2.967608 -1.205255 ESP Fit Center 3578 is at 4.245853 -2.580999 -1.205255 ESP Fit Center 3579 is at 4.343541 -2.174098 -1.205255 ESP Fit Center 3580 is at 4.277467 -1.756925 -1.617228 ESP Fit Center 3581 is at 4.242445 -1.334271 -1.617228 ESP Fit Center 3582 is at 4.138334 -0.923145 -1.617228 ESP Fit Center 3583 is at 3.967974 -0.534762 -1.617228 ESP Fit Center 3584 is at 3.967974 -2.979088 -1.617228 ESP Fit Center 3585 is at 4.138334 -2.590706 -1.617228 ESP Fit Center 3586 is at 4.242445 -2.179580 -1.617228 ESP Fit Center 3587 is at 4.115332 -1.756925 -2.008657 ESP Fit Center 3588 is at 4.078784 -1.339177 -2.008657 ESP Fit Center 3589 is at 3.793027 -2.959784 -2.008657 ESP Fit Center 3590 is at 3.970250 -2.579729 -2.008657 ESP Fit Center 3591 is at 4.078784 -2.174674 -2.008657 ESP Fit Center 3592 is at 3.893961 -1.756925 -2.369903 ESP Fit Center 3593 is at 3.547204 -2.937872 -2.369903 ESP Fit Center 3594 is at 3.737492 -2.568765 -2.369903 ESP Fit Center 3595 is at 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is at -0.079539 -3.699085 -2.174092 ESP Fit Center 3632 is at -1.904532 -1.722421 -2.501411 ESP Fit Center 3633 is at -1.904532 -2.138370 -2.501411 ESP Fit Center 3634 is at -1.792310 -2.538894 -2.501411 ESP Fit Center 3635 is at -1.576190 -2.894288 -2.501411 ESP Fit Center 3636 is at -1.272200 -3.178195 -2.501411 ESP Fit Center 3637 is at -0.902886 -3.369558 -2.501411 ESP Fit Center 3638 is at -0.495637 -3.454186 -2.501411 ESP Fit Center 3639 is at -0.080658 -3.425800 -2.501411 ESP Fit Center 3640 is at -1.591439 -1.930395 -2.770035 ESP Fit Center 3641 is at -1.519068 -2.340831 -2.770035 ESP Fit Center 3642 is at -1.310685 -2.701761 -2.770035 ESP Fit Center 3643 is at -0.991423 -2.969653 -2.770035 ESP Fit Center 3644 is at -0.599790 -3.112196 -2.770035 ESP Fit Center 3645 is at -0.183024 -3.112196 -2.770035 ESP Fit Center 3646 is at 0.208609 -2.969653 -2.770035 ESP Fit Center 3647 is at -1.218003 -1.930395 -2.969640 ESP Fit Center 3648 is at -1.107260 -2.343694 -2.969640 ESP Fit Center 3649 is at -0.804705 -2.646249 -2.969640 ESP Fit Center 3650 is at -0.391407 -2.756992 -2.969640 ESP Fit Center 3651 is at 0.021891 -2.646249 -2.969640 ESP Fit Center 3652 is at 0.029988 -1.930395 -3.092557 ESP Fit Center 3653 is at -0.180709 -1.565457 -3.092557 ESP Fit Center 3654 is at -0.602104 -1.565457 -3.092557 ESP Fit Center 3655 is at -0.812802 -1.930395 -3.092557 ESP Fit Center 3656 is at -0.602104 -2.295334 -3.092557 ESP Fit Center 3657 is at -0.180709 -2.295334 -3.092557 ESP Fit Center 3658 is at -0.391407 -1.930395 -3.134061 ESP Fit Center 3659 is at 0.233898 -2.221377 2.837251 ESP Fit Center 3660 is at 0.655293 -2.221377 2.795747 ESP Fit Center 3661 is at 0.023201 -2.586316 2.795747 ESP Fit Center 3662 is at 0.444596 -2.586316 2.795747 ESP Fit Center 3663 is at -0.179400 -2.937230 2.672831 ESP Fit Center 3664 is at 0.233898 -3.047973 2.672831 ESP Fit Center 3665 is at 0.647196 -2.937230 2.672831 ESP Fit Center 3666 is at 0.949752 -2.634675 2.672831 ESP Fit Center 3667 is at -0.685379 -2.992742 2.473225 ESP Fit Center 3668 is at -0.366118 -3.260635 2.473225 ESP Fit Center 3669 is at 0.025515 -3.403177 2.473225 ESP Fit Center 3670 is at 0.442282 -3.403177 2.473225 ESP Fit Center 3671 is at 0.833914 -3.260635 2.473225 ESP Fit Center 3672 is at 1.153176 -2.992742 2.473225 ESP Fit Center 3673 is at 1.361559 -2.631812 2.473225 ESP Fit Center 3674 is at -0.950885 -3.185269 2.204602 ESP Fit Center 3675 is at -0.646895 -3.469176 2.204602 ESP Fit Center 3676 is at -0.277580 -3.660540 2.204602 ESP Fit Center 3677 is at 0.129668 -3.745167 2.204602 ESP Fit Center 3678 is at 0.544647 -3.716781 2.204602 ESP Fit Center 3679 is at 0.936579 -3.577489 2.204602 ESP Fit Center 3680 is at 1.276396 -3.337619 2.204602 ESP Fit Center 3681 is at 1.538896 -3.014964 2.204602 ESP Fit Center 3682 is at 1.704611 -2.633451 2.204602 ESP Fit Center 3683 is at -1.266616 -3.208281 1.877283 ESP Fit Center 3684 is at -0.998574 -3.527721 1.877283 ESP Fit Center 3685 is at -0.664089 -3.776736 1.877283 ESP Fit Center 3686 is at -0.281193 -3.941901 1.877283 ESP Fit Center 3687 is at 0.129472 -4.014313 1.877283 ESP Fit Center 3688 is at 0.545766 -3.990066 1.877283 ESP Fit Center 3689 is at 0.945247 -3.870469 1.877283 ESP Fit Center 3690 is at 1.306380 -3.661969 1.877283 ESP Fit Center 3691 is at 1.609694 -3.375807 1.877283 ESP Fit Center 3692 is at 1.838840 -3.027408 1.877283 ESP Fit Center 3693 is at 1.981462 -2.635557 1.877283 ESP Fit Center 3694 is at -1.589155 -3.033052 1.503847 ESP Fit Center 3695 is at -1.380560 -3.394349 1.503847 ESP Fit Center 3696 is at -1.101405 -3.704381 1.503847 ESP Fit Center 3697 is at -0.763892 -3.949599 1.503847 ESP Fit Center 3698 is at -0.382770 -4.119286 1.503847 ESP Fit Center 3699 is at 0.025303 -4.206024 1.503847 ESP Fit Center 3700 is at 0.442493 -4.206024 1.503847 ESP Fit Center 3701 is at 0.850566 -4.119286 1.503847 ESP Fit Center 3702 is at 1.231688 -3.949599 1.503847 ESP Fit Center 3703 is at 1.569202 -3.704381 1.503847 ESP Fit Center 3704 is at 1.848356 -3.394349 1.503847 ESP Fit Center 3705 is at -1.264105 -3.719380 1.098646 ESP Fit Center 3706 is at -0.943075 -3.982842 1.098646 ESP Fit Center 3707 is at -0.576815 -4.178612 1.098646 ESP Fit Center 3708 is at -0.179400 -4.299167 1.098646 ESP Fit Center 3709 is at 0.233898 -4.339873 1.098646 ESP Fit Center 3710 is at 0.647196 -4.299167 1.098646 ESP Fit Center 3711 is at 1.044612 -4.178612 1.098646 ESP Fit Center 3712 is at 1.410872 -3.982842 1.098646 ESP Fit Center 3713 is at 1.731901 -3.719380 1.098646 ESP Fit Center 3714 is at -1.180601 -3.853796 0.677251 ESP Fit Center 3715 is at -0.846102 -4.091992 0.677251 ESP Fit Center 3716 is at -0.472569 -4.262578 0.677251 ESP Fit Center 3717 is at -0.073502 -4.359391 0.677251 ESP Fit Center 3718 is at 0.336675 -4.378930 0.677251 ESP Fit Center 3719 is at 0.743138 -4.320490 0.677251 ESP Fit Center 3720 is at 1.131195 -4.186182 0.677251 ESP Fit Center 3721 is at -1.264105 -3.719380 0.255856 ESP Fit Center 3722 is 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-0.322664 -2.878002 ESP Fit Center 3741 is at 3.266415 0.025735 -2.878002 ESP Fit Center 3742 is at 2.963100 0.311897 -2.878002 ESP Fit Center 3743 is at 2.601968 0.520397 -2.878002 ESP Fit Center 3744 is at 3.495560 -1.934727 -2.878002 ESP Fit Center 3745 is at 3.638182 -1.542876 -2.878002 ESP Fit Center 3746 is at 3.417969 -1.128696 -3.205321 ESP Fit Center 3747 is at 3.361331 -0.716621 -3.205321 ESP Fit Center 3748 is at 3.195617 -0.335109 -3.205321 ESP Fit Center 3749 is at 2.933117 -0.012453 -3.205321 ESP Fit Center 3750 is at 2.593299 0.227417 -3.205321 ESP Fit Center 3751 is at 2.201367 0.366709 -3.205321 ESP Fit Center 3752 is at 0.377494 -0.920721 -3.205321 ESP Fit Center 3753 is at 0.377494 -1.336670 -3.205321 ESP Fit Center 3754 is at 0.489715 -1.737194 -3.205321 ESP Fit Center 3755 is at 2.933117 -2.244938 -3.205321 ESP Fit Center 3756 is at 3.195617 -1.922282 -3.205321 ESP Fit Center 3757 is at 3.361331 -1.540770 -3.205321 ESP Fit Center 3758 is at 3.090650 -1.128696 -3.473945 ESP Fit Center 3759 is at 3.018280 -0.718261 -3.473945 ESP Fit Center 3760 is at 2.809896 -0.357330 -3.473945 ESP Fit Center 3761 is at 2.490635 -0.089438 -3.473945 ESP Fit Center 3762 is at 2.099002 0.053105 -3.473945 ESP Fit Center 3763 is at 1.682235 0.053105 -3.473945 ESP Fit Center 3764 is at 1.290603 -0.089438 -3.473945 ESP Fit Center 3765 is at 0.971341 -0.357330 -3.473945 ESP Fit Center 3766 is at 0.762958 -0.718261 -3.473945 ESP Fit Center 3767 is at 0.690587 -1.128696 -3.473945 ESP Fit Center 3768 is at 0.762958 -1.539131 -3.473945 ESP Fit Center 3769 is at 0.971341 -1.900061 -3.473945 ESP Fit Center 3770 is at 1.290603 -2.167953 -3.473945 ESP Fit Center 3771 is at 1.682235 -2.310496 -3.473945 ESP Fit Center 3772 is at 2.099002 -2.310496 -3.473945 ESP Fit Center 3773 is at 2.490635 -2.167953 -3.473945 ESP Fit Center 3774 is at 2.809896 -1.900061 -3.473945 ESP Fit Center 3775 is at 3.018280 -1.539131 -3.473945 ESP Fit Center 3776 is at 2.717215 -1.128696 -3.673550 ESP Fit Center 3777 is at 2.606472 -0.715397 -3.673550 ESP Fit Center 3778 is at 2.303917 -0.412842 -3.673550 ESP Fit Center 3779 is at 1.890619 -0.302099 -3.673550 ESP Fit Center 3780 is at 1.477321 -0.412842 -3.673550 ESP Fit Center 3781 is at 1.174765 -0.715397 -3.673550 ESP Fit Center 3782 is at 1.064022 -1.128696 -3.673550 ESP Fit Center 3783 is at 1.174765 -1.541994 -3.673550 ESP Fit Center 3784 is at 1.477321 -1.844549 -3.673550 ESP Fit Center 3785 is at 1.890619 -1.955292 -3.673550 ESP Fit Center 3786 is at 2.303917 -1.844549 -3.673550 ESP Fit Center 3787 is at 2.606472 -1.541994 -3.673550 ESP Fit Center 3788 is at 2.312014 -1.128696 -3.796467 ESP Fit Center 3789 is at 2.101316 -0.763757 -3.796467 ESP Fit Center 3790 is at 1.679921 -0.763757 -3.796467 ESP Fit Center 3791 is at 1.469224 -1.128696 -3.796467 ESP Fit Center 3792 is at 1.679921 -1.493634 -3.796467 ESP Fit Center 3793 is at 2.101316 -1.493634 -3.796467 ESP Fit Center 3794 is at 1.890619 -1.128696 -3.837970 ESP Fit Center 3795 is at 2.015027 -4.000826 0.702499 ESP Fit Center 3796 is at 1.295165 -4.258188 0.433875 ESP Fit Center 3797 is at 1.702414 -4.342815 0.433875 ESP Fit Center 3798 is at 2.117393 -4.314430 0.433875 ESP Fit Center 3799 is at 2.509325 -4.175137 0.433875 ESP Fit Center 3800 is at 2.849142 -3.935268 0.433875 ESP Fit Center 3801 is at 0.908657 -4.374385 0.106556 ESP Fit Center 3802 is at 1.291553 -4.539550 0.106556 ESP Fit Center 3803 is at 1.702217 -4.611961 0.106556 ESP Fit Center 3804 is at 2.118512 -4.587715 0.106556 ESP Fit Center 3805 is at 2.517993 -4.468118 0.106556 ESP Fit Center 3806 is at 2.879126 -4.259618 0.106556 ESP Fit Center 3807 is at 3.182440 -3.973455 0.106556 ESP Fit Center 3808 is at 0.471340 -4.302030 -0.266880 ESP Fit Center 3809 is at 0.808854 -4.547248 -0.266880 ESP Fit Center 3810 is at 1.189976 -4.716934 -0.266880 ESP Fit Center 3811 is at 1.598049 -4.803673 -0.266880 ESP Fit Center 3812 is at 2.015239 -4.803673 -0.266880 ESP Fit Center 3813 is at 2.423312 -4.716934 -0.266880 ESP Fit Center 3814 is at 2.804434 -4.547248 -0.266880 ESP Fit Center 3815 is at 3.141948 -4.302030 -0.266880 ESP Fit Center 3816 is at 3.421102 -3.991998 -0.266880 ESP Fit Center 3817 is at 3.629697 -3.630701 -0.266880 ESP Fit Center 3818 is at 0.308641 -4.317028 -0.672081 ESP Fit Center 3819 is at 0.629671 -4.580490 -0.672081 ESP Fit Center 3820 is at 0.995931 -4.776261 -0.672081 ESP Fit Center 3821 is at 1.393346 -4.896815 -0.672081 ESP Fit Center 3822 is at 1.806644 -4.937521 -0.672081 ESP Fit Center 3823 is at 2.219942 -4.896815 -0.672081 ESP Fit Center 3824 is at 2.617357 -4.776261 -0.672081 ESP Fit Center 3825 is at 2.983617 -4.580490 -0.672081 ESP Fit Center 3826 is at 3.304647 -4.317028 -0.672081 ESP Fit Center 3827 is at 3.568109 -3.995999 -0.672081 ESP Fit Center 3828 is at 3.763879 -3.629739 -0.672081 ESP Fit Center 3829 is at 0.108769 -4.154249 -1.093476 ESP Fit Center 3830 is at 0.392145 -4.451444 -1.093476 ESP Fit Center 3831 is at 0.726644 -4.689640 -1.093476 ESP Fit Center 3832 is at 1.100177 -4.860227 -1.093476 ESP Fit Center 3833 is at 1.499244 -4.957040 -1.093476 ESP Fit Center 3834 is at 1.909421 -4.976579 -1.093476 ESP Fit Center 3835 is at 2.315883 -4.918138 -1.093476 ESP Fit Center 3836 is at 2.703940 -4.783830 -1.093476 ESP Fit Center 3837 is at 3.059567 -4.578509 -1.093476 ESP Fit Center 3838 is at 3.369910 -4.309596 -1.093476 ESP Fit Center 3839 is at 3.623752 -3.986809 -1.093476 ESP Fit Center 3840 is at 3.811919 -3.621816 -1.093476 ESP Fit Center 3841 is at 0.045179 -3.995999 -1.514871 ESP Fit Center 3842 is at 0.308641 -4.317028 -1.514871 ESP Fit Center 3843 is at 0.629671 -4.580490 -1.514871 ESP Fit Center 3844 is at 0.995931 -4.776261 -1.514871 ESP Fit Center 3845 is at 1.393346 -4.896815 -1.514871 ESP Fit Center 3846 is at 1.806644 -4.937521 -1.514871 ESP Fit Center 3847 is at 2.219942 -4.896815 -1.514871 ESP Fit Center 3848 is at 2.617357 -4.776261 -1.514871 ESP Fit Center 3849 is at 2.983617 -4.580490 -1.514871 ESP Fit Center 3850 is at 3.304647 -4.317028 -1.514871 ESP Fit Center 3851 is at 3.568109 -3.995999 -1.514871 ESP Fit Center 3852 is at 3.763879 -3.629739 -1.514871 ESP Fit Center 3853 is at 3.884434 -3.232323 -1.514871 ESP Fit Center 3854 is at 0.192186 -3.991998 -1.920072 ESP Fit Center 3855 is at 0.471340 -4.302030 -1.920072 ESP Fit Center 3856 is at 0.808854 -4.547248 -1.920072 ESP Fit Center 3857 is at 1.189976 -4.716934 -1.920072 ESP Fit Center 3858 is at 1.598049 -4.803673 -1.920072 ESP Fit Center 3859 is at 2.015239 -4.803673 -1.920072 ESP Fit Center 3860 is at 2.423312 -4.716934 -1.920072 ESP Fit Center 3861 is at 2.804434 -4.547248 -1.920072 ESP Fit Center 3862 is at 3.141948 -4.302030 -1.920072 ESP Fit Center 3863 is at 3.421102 -3.991998 -1.920072 ESP Fit Center 3864 is at 3.629697 -3.630701 -1.920072 ESP Fit Center 3865 is at 3.758616 -3.233930 -1.920072 ESP Fit Center 3866 is at 0.306129 -3.805929 -2.293507 ESP Fit Center 3867 is at 0.574172 -4.125370 -2.293507 ESP Fit Center 3868 is at 0.908657 -4.374385 -2.293507 ESP Fit Center 3869 is at 1.291553 -4.539550 -2.293507 ESP Fit Center 3870 is at 1.702217 -4.611961 -2.293507 ESP Fit Center 3871 is at 2.118512 -4.587715 -2.293507 ESP Fit Center 3872 is at 2.517993 -4.468118 -2.293507 ESP Fit Center 3873 is at 2.879126 -4.259618 -2.293507 ESP Fit Center 3874 is at 3.182440 -3.973455 -2.293507 ESP Fit Center 3875 is at 3.411585 -3.625057 -2.293507 ESP Fit Center 3876 is at 3.554208 -3.233205 -2.293507 ESP Fit Center 3877 is at 0.405741 -3.427523 -2.620826 ESP Fit Center 3878 is at 0.621861 -3.782918 -2.620826 ESP Fit Center 3879 is at 0.925851 -4.066825 -2.620826 ESP Fit Center 3880 is at 1.295165 -4.258188 -2.620826 ESP Fit Center 3881 is at 1.702414 -4.342815 -2.620826 ESP Fit Center 3882 is at 2.117393 -4.314430 -2.620826 ESP Fit Center 3883 is at 2.509325 -4.175137 -2.620826 ESP Fit Center 3884 is at 2.849142 -3.935268 -2.620826 ESP Fit Center 3885 is at 3.111642 -3.612612 -2.620826 ESP Fit Center 3886 is at 3.277356 -3.231100 -2.620826 ESP Fit Center 3887 is at 0.678983 -3.229460 -2.889450 ESP Fit Center 3888 is at 0.887366 -3.590391 -2.889450 ESP Fit Center 3889 is at 1.206628 -3.858283 -2.889450 ESP Fit Center 3890 is at 1.598261 -4.000826 -2.889450 ESP Fit Center 3891 is at 2.015027 -4.000826 -2.889450 ESP Fit Center 3892 is at 2.406660 -3.858283 -2.889450 ESP Fit Center 3893 is at 2.725922 -3.590391 -2.889450 ESP Fit Center 3894 is at 2.934305 -3.229460 -2.889450 ESP Fit Center 3895 is at 2.633240 -2.819025 -3.089056 ESP Fit Center 3896 is at 1.090791 -3.232323 -3.089056 ESP Fit Center 3897 is at 1.393346 -3.534879 -3.089056 ESP Fit Center 3898 is at 1.806644 -3.645621 -3.089056 ESP Fit Center 3899 is at 2.219942 -3.534879 -3.089056 ESP Fit Center 3900 is at 2.522497 -3.232323 -3.089056 ESP Fit Center 3901 is at 2.228039 -2.819025 -3.211972 ESP Fit Center 3902 is at 1.595946 -3.183964 -3.211972 ESP Fit Center 3903 is at 2.017342 -3.183964 -3.211972 ESP Fit Center 3904 is at 2.696837 -1.967907 2.108531 ESP Fit Center 3905 is at 3.312736 -1.602968 1.985615 ESP Fit Center 3906 is at 3.201993 -1.189670 1.985615 ESP Fit Center 3907 is at 2.072841 -2.318821 1.985615 ESP Fit Center 3908 is at 2.486140 -2.429564 1.985615 ESP Fit Center 3909 is at 2.899438 -2.318821 1.985615 ESP Fit Center 3910 is at 3.201993 -2.016266 1.985615 ESP Fit Center 3911 is at 3.686171 -1.602968 1.786010 ESP Fit Center 3912 is at 3.613800 -1.192533 1.786010 ESP Fit Center 3913 is at 2.277756 -2.784768 1.786010 ESP Fit Center 3914 is at 2.694523 -2.784768 1.786010 ESP Fit Center 3915 is at 3.086155 -2.642226 1.786010 ESP Fit Center 3916 is at 3.405417 -2.374333 1.786010 ESP Fit Center 3917 is at 3.613800 -2.013403 1.786010 ESP Fit Center 3918 is at 4.013490 -1.602968 1.517386 ESP Fit Center 3919 is at 3.956852 -1.190894 1.517386 ESP Fit Center 3920 is at 3.791138 -0.809381 1.517386 ESP Fit Center 3921 is at 2.381909 -3.126758 1.517386 ESP Fit Center 3922 is at 2.796888 -3.098373 1.517386 ESP Fit Center 3923 is at 3.188820 -2.959080 1.517386 ESP Fit Center 3924 is at 3.528638 -2.719211 1.517386 ESP Fit Center 3925 is at 3.791138 -2.396555 1.517386 ESP Fit Center 3926 is at 3.956852 -2.015042 1.517386 ESP Fit Center 3927 is at 4.282114 -1.602968 1.190067 ESP Fit Center 3928 is at 4.233703 -1.188788 1.190067 ESP Fit Center 3929 is at 4.091081 -0.796936 1.190067 ESP Fit Center 3930 is at 2.798007 -3.371657 1.190067 ESP Fit Center 3931 is at 3.197489 -3.252060 1.190067 ESP Fit Center 3932 is at 3.558621 -3.043561 1.190067 ESP Fit Center 3933 is at 3.861936 -2.757398 1.190067 ESP Fit Center 3934 is at 4.091081 -2.409000 1.190067 ESP Fit Center 3935 is at 4.233703 -2.017148 1.190067 ESP Fit Center 3936 is at 4.481719 -1.602968 0.816631 ESP Fit Center 3937 is at 4.438111 -1.188064 0.816631 ESP Fit Center 3938 is at 3.102808 -3.500877 0.816631 ESP Fit Center 3939 is at 3.483929 -3.331191 0.816631 ESP Fit Center 3940 is at 3.821443 -3.085973 0.816631 ESP Fit Center 3941 is at 4.100597 -2.775940 0.816631 ESP Fit Center 3942 is at 4.309192 -2.414643 0.816631 ESP Fit Center 3943 is at 4.438111 -2.017872 0.816631 ESP Fit Center 3944 is at 4.604636 -1.602968 0.411430 ESP Fit Center 3945 is at 4.563929 -1.189670 0.411430 ESP Fit Center 3946 is at 3.663113 -3.364433 0.411430 ESP Fit Center 3947 is at 3.984143 -3.100971 0.411430 ESP Fit Center 3948 is at 4.247605 -2.779941 0.411430 ESP Fit Center 3949 is at 4.443375 -2.413681 0.411430 ESP Fit Center 3950 is at 4.563929 -2.016266 0.411430 ESP Fit Center 3951 is at 4.646140 -1.602968 -0.009965 ESP Fit Center 3952 is at 4.607106 -1.194185 -0.009965 ESP Fit Center 3953 is at 3.739062 -3.362452 -0.009965 ESP Fit Center 3954 is at 4.049405 -3.093539 -0.009965 ESP Fit Center 3955 is at 4.303247 -2.770752 -0.009965 ESP Fit Center 3956 is at 4.491414 -2.405759 -0.009965 ESP Fit Center 3957 is at 4.607106 -2.011751 -0.009965 ESP Fit Center 3958 is at 4.604636 -1.602968 -0.431360 ESP Fit Center 3959 is at 4.563929 -1.189670 -0.431360 ESP Fit Center 3960 is at 4.247605 -2.779941 -0.431360 ESP Fit Center 3961 is at 4.443375 -2.413681 -0.431360 ESP Fit Center 3962 is at 4.563929 -2.016266 -0.431360 ESP Fit Center 3963 is at 4.481719 -1.602968 -0.836561 ESP Fit Center 3964 is at 4.438111 -1.188064 -0.836561 ESP Fit Center 3965 is at 4.438111 -2.017872 -0.836561 ESP Fit Center 3966 is at 1.121167 0.840874 3.806424 ESP Fit Center 3967 is at 0.487607 0.475088 3.806424 ESP Fit Center 3968 is at 1.632545 0.892261 3.707518 ESP Fit Center 3969 is at 1.327153 1.197653 3.707518 ESP Fit Center 3970 is at 0.075634 0.475088 3.707518 ESP Fit Center 3971 is at 2.061831 0.894327 3.545383 ESP Fit Center 3972 is at 1.848978 1.263000 3.545383 ESP Fit Center 3973 is at -0.241871 0.055848 3.545383 ESP Fit Center 3974 is at 3.367211 -0.349974 2.458213 ESP Fit Center 3975 is at 1.462422 3.206898 2.136045 ESP Fit Center 3976 is at 3.443896 -0.636626 2.136045 ESP Fit Center 3977 is at 3.757737 -0.364682 2.136045 ESP Fit Center 3978 is at 1.759103 3.511859 1.774799 ESP Fit Center 3979 is at 1.354047 3.403325 1.774799 ESP Fit Center 3980 is at 3.723217 -0.700197 1.774799 ESP Fit Center 3981 is at 4.019738 -0.403676 1.774799 ESP Fit Center 3982 is at 4.260264 -0.060169 1.774799 ESP Fit Center 3983 is at 2.388903 3.701772 1.383370 ESP Fit Center 3984 is at 1.964800 3.701772 1.383370 ESP Fit Center 3985 is at 1.546481 3.631967 1.383370 ESP Fit Center 3986 is at 1.145357 3.494261 1.383370 ESP Fit Center 3987 is at 3.916011 -0.746541 1.383370 ESP Fit Center 3988 is at 4.203248 -0.434518 1.383370 ESP Fit Center 3989 is at 4.435210 -0.079473 1.383370 ESP Fit Center 3990 is at 4.605571 0.308909 1.383370 ESP Fit Center 3991 is at 3.000925 3.678928 0.971398 ESP Fit Center 3992 is at 2.594024 3.776616 0.971398 ESP Fit Center 3993 is at 4.810778 0.725517 0.971398 ESP Fit Center 3994 is at 4.876851 1.142690 0.549024 ESP Fit Center 3995 is at 4.845209 1.554843 0.549024 ESP Fit Center 3996 is at 4.751022 1.957335 0.549024 ESP Fit Center 3997 is at 4.122260 3.014957 0.549024 ESP Fit Center 3998 is at 3.813660 3.289980 0.549024 ESP Fit Center 3999 is at 3.466695 3.514673 0.549024 ESP Fit Center 4000 is at 4.810778 1.559863 0.126651 ESP Fit Center 4001 is at 4.713089 1.966763 0.126651 ESP Fit Center 4002 is at 4.552951 2.353373 0.126651 ESP Fit Center 4003 is at 4.334304 2.710171 0.126651 ESP Fit Center 4004 is at 4.062534 3.028373 0.126651 ESP Fit Center 4005 is at 3.744333 3.300143 0.126651 ESP Fit Center 4006 is at 4.709682 1.565344 -0.285321 ESP Fit Center 4007 is at 4.605571 1.976470 -0.285321 ESP Fit Center 4008 is at 4.435210 2.364852 -0.285321 ESP Fit Center 4009 is at 4.203248 2.719897 -0.285321 ESP Fit Center 4010 is at 3.916011 3.031920 -0.285321 ESP Fit Center 4011 is at 4.437486 1.965494 -0.676750 ESP Fit Center 4012 is at 4.260264 2.345548 -0.676750 ESP Fit Center 4013 is at 4.019738 2.689055 -0.676750 ESP Fit Center 4014 is at 4.204728 1.954529 -1.037996 ESP Fit Center 4015 is at 4.014440 2.323636 -1.037996 ESP Fit Center 4016 is at 3.896971 1.971055 -1.360164 ESP Fit Center 4017 is at 3.669515 2.333049 -1.360164 ESP Fit Center 4018 is at 3.551251 1.936200 -1.635321 ESP Fit Center 4019 is at 3.328702 1.561929 -1.856693 ESP Fit Center 4020 is at 2.899416 1.559863 -2.018828 ESP Fit Center 4021 is at 1.223166 -0.285284 4.050560 ESP Fit Center 4022 is at 1.644561 -0.285284 4.009057 ESP Fit Center 4023 is at 1.433864 0.079654 4.009057 ESP Fit Center 4024 is at 1.012469 0.079654 4.009057 ESP Fit Center 4025 is at 0.801771 -0.285284 4.009057 ESP Fit Center 4026 is at 1.012469 -0.650223 4.009057 ESP Fit Center 4027 is at 1.433864 -0.650223 4.009057 ESP Fit Center 4028 is at 2.049762 -0.285284 3.886140 ESP Fit Center 4029 is at 1.939019 0.128014 3.886140 ESP Fit Center 4030 is at 1.636464 0.430569 3.886140 ESP Fit Center 4031 is at 1.223166 0.541312 3.886140 ESP Fit Center 4032 is at 0.809868 0.430569 3.886140 ESP Fit Center 4033 is at 0.507313 0.128014 3.886140 ESP Fit Center 4034 is at 0.396570 -0.285284 3.886140 ESP Fit Center 4035 is at 0.507313 -0.698583 3.886140 ESP Fit Center 4036 is at 0.809868 -1.001138 3.886140 ESP Fit Center 4037 is at 1.223166 -1.111881 3.886140 ESP Fit Center 4038 is at 1.636464 -1.001138 3.886140 ESP Fit Center 4039 is at 1.939019 -0.698583 3.886140 ESP Fit Center 4040 is at 2.423198 -0.285284 3.686535 ESP Fit Center 4041 is at 2.350827 0.125151 3.686535 ESP Fit Center 4042 is at 2.142444 0.486081 3.686535 ESP Fit Center 4043 is at 1.823182 0.753973 3.686535 ESP Fit Center 4044 is at 0.023134 -0.285284 3.686535 ESP Fit Center 4045 is at 0.095505 -0.695719 3.686535 ESP Fit Center 4046 is at 0.303889 -1.056650 3.686535 ESP Fit Center 4047 is at 0.623150 -1.324542 3.686535 ESP Fit Center 4048 is at 1.014783 -1.467085 3.686535 ESP Fit Center 4049 is at 1.431549 -1.467085 3.686535 ESP Fit Center 4050 is at 1.823182 -1.324542 3.686535 ESP Fit Center 4051 is at 2.142444 -1.056650 3.686535 ESP Fit Center 4052 is at 2.350827 -0.695719 3.686535 ESP Fit Center 4053 is at 2.750517 -0.285284 3.417911 ESP Fit Center 4054 is at 2.693878 0.126790 3.417911 ESP Fit Center 4055 is at 2.528164 0.508302 3.417911 ESP Fit Center 4056 is at 0.342373 -1.533084 3.417911 ESP Fit Center 4057 is at 0.711688 -1.724447 3.417911 ESP Fit Center 4058 is at 1.118936 -1.809075 3.417911 ESP Fit Center 4059 is at 1.533915 -1.780689 3.417911 ESP Fit Center 4060 is at 1.925847 -1.641397 3.417911 ESP Fit Center 4061 is at 2.265664 -1.401527 3.417911 ESP Fit Center 4062 is at 2.528164 -1.078871 3.417911 ESP Fit Center 4063 is at 2.693878 -0.697359 3.417911 ESP Fit Center 4064 is at 3.019140 -0.285284 3.090592 ESP Fit Center 4065 is at 2.970730 0.128896 3.090592 ESP Fit Center 4066 is at 0.325179 -1.840644 3.090592 ESP Fit Center 4067 is at 0.708075 -2.005809 3.090592 ESP Fit Center 4068 is at 1.118739 -2.078220 3.090592 ESP Fit Center 4069 is at 1.535034 -2.053974 3.090592 ESP Fit Center 4070 is at 1.934515 -1.934377 3.090592 ESP Fit Center 4071 is at 2.295648 -1.725877 3.090592 ESP Fit Center 4072 is at 2.598962 -1.439715 3.090592 ESP Fit Center 4073 is at 2.828107 -1.091316 3.090592 ESP Fit Center 4074 is at 2.970730 -0.699465 3.090592 ESP Fit Center 4075 is at 3.218746 -0.285284 2.717157 ESP Fit Center 4076 is at 1.014571 -2.269932 2.717157 ESP Fit Center 4077 is at 1.431761 -2.269932 2.717157 ESP Fit Center 4078 is at 1.839834 -2.183194 2.717157 ESP Fit Center 4079 is at 2.220956 -2.013507 2.717157 ESP Fit Center 4080 is at 2.558470 -1.768289 2.717157 ESP Fit Center 4081 is at 2.837624 -1.458257 2.717157 ESP Fit Center 4082 is at 3.046219 -1.096960 2.717157 ESP Fit Center 4083 is at 3.175138 -0.700189 2.717157 ESP Fit Center 4084 is at 2.033880 -2.242520 2.311955 ESP Fit Center 4085 is at 2.400140 -2.046750 2.311955 ESP Fit Center 4086 is at 2.721169 -1.783287 2.311955 ESP Fit Center 4087 is at 2.984631 -1.462258 2.311955 ESP Fit Center 4088 is at 3.180401 -1.095998 2.311955 ESP Fit Center 4089 is at 3.300956 -0.698583 2.311955 ESP Fit Center 4090 is at 0.431421 1.298091 3.878364 ESP Fit Center 4091 is at 0.852816 1.298091 3.836860 ESP Fit Center 4092 is at 0.642118 1.663029 3.836860 ESP Fit Center 4093 is at 0.220723 1.663029 3.836860 ESP Fit Center 4094 is at 0.010026 1.298091 3.836860 ESP Fit Center 4095 is at 0.220723 0.933152 3.836860 ESP Fit Center 4096 is at 0.642118 0.933152 3.836860 ESP Fit Center 4097 is at 1.258017 1.298091 3.713944 ESP Fit Center 4098 is at 1.147274 1.711389 3.713944 ESP Fit Center 4099 is at 0.844719 2.013944 3.713944 ESP Fit Center 4100 is at 0.431421 2.124687 3.713944 ESP Fit Center 4101 is at 0.018123 2.013944 3.713944 ESP Fit Center 4102 is at -0.284433 1.711389 3.713944 ESP Fit Center 4103 is at -0.395175 1.298091 3.713944 ESP Fit Center 4104 is at -0.284433 0.884792 3.713944 ESP Fit Center 4105 is at 0.018123 0.582237 3.713944 ESP Fit Center 4106 is at 1.559082 1.708526 3.514338 ESP Fit Center 4107 is at 1.350698 2.069456 3.514338 ESP Fit Center 4108 is at 1.031437 2.337349 3.514338 ESP Fit Center 4109 is at 0.639804 2.479891 3.514338 ESP Fit Center 4110 is at 0.223037 2.479891 3.514338 ESP Fit Center 4111 is at -0.168595 2.337349 3.514338 ESP Fit Center 4112 is at -0.487857 2.069456 3.514338 ESP Fit Center 4113 is at -0.696240 1.708526 3.514338 ESP Fit Center 4114 is at -0.768611 1.298091 3.514338 ESP Fit Center 4115 is at -0.696240 0.887656 3.514338 ESP Fit Center 4116 is at -0.487857 0.526725 3.514338 ESP Fit Center 4117 is at 1.736419 2.091677 3.245714 ESP Fit Center 4118 is at 1.473919 2.414333 3.245714 ESP Fit Center 4119 is at 1.134101 2.654203 3.245714 ESP Fit Center 4120 is at 0.742169 2.793495 3.245714 ESP Fit Center 4121 is at 0.327191 2.821881 3.245714 ESP Fit Center 4122 is at -0.080058 2.737253 3.245714 ESP Fit Center 4123 is at -0.449372 2.545890 3.245714 ESP Fit Center 4124 is at -0.753362 2.261983 3.245714 ESP Fit Center 4125 is at -0.969482 1.906589 3.245714 ESP Fit Center 4126 is at 1.503902 2.738683 2.918395 ESP Fit Center 4127 is at 1.142770 2.947183 2.918395 ESP Fit Center 4128 is at 0.743288 3.066780 2.918395 ESP Fit Center 4129 is at 0.326994 3.091026 2.918395 ESP Fit Center 4130 is at -0.083670 3.018615 2.918395 ESP Fit Center 4131 is at -0.466566 2.853450 2.918395 ESP Fit Center 4132 is at -0.801052 2.604435 2.918395 ESP Fit Center 4133 is at -1.069094 2.284995 2.918395 ESP Fit Center 4134 is at 1.429211 3.026313 2.544960 ESP Fit Center 4135 is at 1.048089 3.196000 2.544960 ESP Fit Center 4136 is at 0.640016 3.282738 2.544960 ESP Fit Center 4137 is at 0.222826 3.282738 2.544960 ESP Fit Center 4138 is at -0.185247 3.196000 2.544960 ESP Fit Center 4139 is at -0.566369 3.026313 2.544960 ESP Fit Center 4140 is at -0.903883 2.781095 2.544960 ESP Fit Center 4141 is at -1.183037 2.471063 2.544960 ESP Fit Center 4142 is at 1.242134 3.255326 2.139759 ESP Fit Center 4143 is at 0.844719 3.375880 2.139759 ESP Fit Center 4144 is at 0.431421 3.416587 2.139759 ESP Fit Center 4145 is at 0.018123 3.375880 2.139759 ESP Fit Center 4146 is at -0.379293 3.255326 2.139759 ESP Fit Center 4147 is at -0.745553 3.059556 2.139759 ESP Fit Center 4148 is at -1.066582 2.796094 2.139759 ESP Fit Center 4149 is at 0.940660 3.397204 1.718364 ESP Fit Center 4150 is at 4.201516 -0.676540 1.161122 ESP Fit Center 4151 is at 4.430661 -0.328142 1.161122 ESP Fit Center 4152 is at 4.821299 0.477890 0.787686 ESP Fit Center 4153 is at 4.440178 -0.695082 0.787686 ESP Fit Center 4154 is at 4.648772 -0.333785 0.787686 ESP Fit Center 4155 is at 4.777691 0.062986 0.787686 ESP Fit Center 4156 is at 4.944216 0.477890 0.382485 ESP Fit Center 4157 is at 4.903509 0.891188 0.382485 ESP Fit Center 4158 is at 4.587185 -0.699083 0.382485 ESP Fit Center 4159 is at 4.782955 -0.332823 0.382485 ESP Fit Center 4160 is at 4.903509 0.064592 0.382485 ESP Fit Center 4161 is at 4.985720 0.477890 -0.038910 ESP Fit Center 4162 is at 4.946686 0.886673 -0.038910 ESP Fit Center 4163 is at 4.830994 1.280681 -0.038910 ESP Fit Center 4164 is at 4.642827 -0.689894 -0.038910 ESP Fit Center 4165 is at 4.830994 -0.324901 -0.038910 ESP Fit Center 4166 is at 4.946686 0.069107 -0.038910 ESP Fit Center 4167 is at 4.944216 0.477890 -0.460305 ESP Fit Center 4168 is at 4.903509 0.891188 -0.460305 ESP Fit Center 4169 is at 4.782955 1.288603 -0.460305 ESP Fit Center 4170 is at 4.587185 -0.699083 -0.460305 ESP Fit Center 4171 is at 4.782955 -0.332823 -0.460305 ESP Fit Center 4172 is at 4.903509 0.064592 -0.460305 ESP Fit Center 4173 is at 4.821299 0.477890 -0.865506 ESP Fit Center 4174 is at 4.777691 0.892794 -0.865506 ESP Fit Center 4175 is at 4.648772 1.289565 -0.865506 ESP Fit Center 4176 is at 4.440178 1.650862 -0.865506 ESP Fit Center 4177 is at 4.440178 -0.695082 -0.865506 ESP Fit Center 4178 is at 4.648772 -0.333785 -0.865506 ESP Fit Center 4179 is at 4.777691 0.062986 -0.865506 ESP Fit Center 4180 is at 4.621694 0.477890 -1.238942 ESP Fit Center 4181 is at 4.573283 0.892070 -1.238942 ESP Fit Center 4182 is at 4.430661 1.283922 -1.238942 ESP Fit Center 4183 is at 4.201516 1.632320 -1.238942 ESP Fit Center 4184 is at 4.201516 -0.676540 -1.238942 ESP Fit Center 4185 is at 4.430661 -0.328142 -1.238942 ESP Fit Center 4186 is at 4.573283 0.063710 -1.238942 ESP Fit Center 4187 is at 4.353070 0.477890 -1.566261 ESP Fit Center 4188 is at 4.296432 0.889964 -1.566261 ESP Fit Center 4189 is at 4.130718 1.271477 -1.566261 ESP Fit Center 4190 is at 3.868218 1.594133 -1.566261 ESP Fit Center 4191 is at 4.130718 -0.315697 -1.566261 ESP Fit Center 4192 is at 4.296432 0.065816 -1.566261 ESP Fit Center 4193 is at 4.025751 0.477890 -1.834885 ESP Fit Center 4194 is at 3.953381 0.888325 -1.834885 ESP Fit Center 4195 is at 3.744997 1.249255 -1.834885 ESP Fit Center 4196 is at 3.425735 1.517148 -1.834885 ESP Fit Center 4197 is at 3.953381 0.067455 -1.834885 ESP Fit Center 4198 is at 3.652316 0.477890 -2.034490 ESP Fit Center 4199 is at 3.541573 0.891188 -2.034490 ESP Fit Center 4200 is at 3.239018 1.193743 -2.034490 ESP Fit Center 4201 is at 3.036417 0.842829 -2.157406 ESP Fit Center 4202 is at 2.792362 1.531544 3.547671 ESP Fit Center 4203 is at 3.213757 1.531544 3.506167 ESP Fit Center 4204 is at 3.003059 1.896483 3.506167 ESP Fit Center 4205 is at 2.581664 1.896483 3.506167 ESP Fit Center 4206 is at 2.370967 1.531544 3.506167 ESP Fit Center 4207 is at 2.581664 1.166606 3.506167 ESP Fit Center 4208 is at 3.003059 1.166606 3.506167 ESP Fit Center 4209 is at 3.618958 1.531544 3.383251 ESP Fit Center 4210 is at 3.508215 1.944842 3.383251 ESP Fit Center 4211 is at 3.205660 2.247398 3.383251 ESP Fit Center 4212 is at 2.792362 2.358141 3.383251 ESP Fit Center 4213 is at 2.379064 2.247398 3.383251 ESP Fit Center 4214 is at 2.076509 1.944842 3.383251 ESP Fit Center 4215 is at 2.379064 0.815691 3.383251 ESP Fit Center 4216 is at 2.792362 0.704948 3.383251 ESP Fit Center 4217 is at 3.205660 0.815691 3.383251 ESP Fit Center 4218 is at 3.508215 1.118246 3.383251 ESP Fit Center 4219 is at 3.992394 1.531544 3.183645 ESP Fit Center 4220 is at 3.920023 1.941979 3.183645 ESP Fit Center 4221 is at 3.711640 2.302910 3.183645 ESP Fit Center 4222 is at 3.392378 2.570802 3.183645 ESP Fit Center 4223 is at 3.000745 2.713345 3.183645 ESP Fit Center 4224 is at 2.583979 2.713345 3.183645 ESP Fit Center 4225 is at 2.192346 2.570802 3.183645 ESP Fit Center 4226 is at 1.873084 2.302910 3.183645 ESP Fit Center 4227 is at 3.000745 0.349744 3.183645 ESP Fit Center 4228 is at 3.392378 0.492286 3.183645 ESP Fit Center 4229 is at 3.711640 0.760179 3.183645 ESP Fit Center 4230 is at 3.920023 1.121109 3.183645 ESP Fit Center 4231 is at 4.319713 1.531544 2.915022 ESP Fit Center 4232 is at 4.263074 1.943619 2.915022 ESP Fit Center 4233 is at 4.097360 2.325131 2.915022 ESP Fit Center 4234 is at 3.834860 2.647787 2.915022 ESP Fit Center 4235 is at 3.495043 2.887656 2.915022 ESP Fit Center 4236 is at 3.103111 3.026949 2.915022 ESP Fit Center 4237 is at 2.688132 3.055334 2.915022 ESP Fit Center 4238 is at 2.280883 2.970707 2.915022 ESP Fit Center 4239 is at 1.911569 2.779344 2.915022 ESP Fit Center 4240 is at 3.103111 0.036140 2.915022 ESP Fit Center 4241 is at 3.495043 0.175432 2.915022 ESP Fit Center 4242 is at 3.834860 0.415302 2.915022 ESP Fit Center 4243 is at 4.097360 0.737958 2.915022 ESP Fit Center 4244 is at 4.263074 1.119470 2.915022 ESP Fit Center 4245 is at 4.588336 1.531544 2.587703 ESP Fit Center 4246 is at 4.539926 1.945725 2.587703 ESP Fit Center 4247 is at 4.397303 2.337576 2.587703 ESP Fit Center 4248 is at 4.168158 2.685974 2.587703 ESP Fit Center 4249 is at 3.864843 2.972137 2.587703 ESP Fit Center 4250 is at 3.503711 3.180637 2.587703 ESP Fit Center 4251 is at 3.104230 3.300234 2.587703 ESP Fit Center 4252 is at 2.687935 3.324480 2.587703 ESP Fit Center 4253 is at 2.277271 3.252069 2.587703 ESP Fit Center 4254 is at 1.894375 3.086904 2.587703 ESP Fit Center 4255 is at 3.503711 -0.117548 2.587703 ESP Fit Center 4256 is at 3.864843 0.090952 2.587703 ESP Fit Center 4257 is at 4.168158 0.377114 2.587703 ESP Fit Center 4258 is at 4.397303 0.725513 2.587703 ESP Fit Center 4259 is at 4.539926 1.117364 2.587703 ESP Fit Center 4260 is at 4.787942 1.531544 2.214267 ESP Fit Center 4261 is at 4.744334 1.946449 2.214267 ESP Fit Center 4262 is at 4.615415 2.343220 2.214267 ESP Fit Center 4263 is at 4.406820 2.704517 2.214267 ESP Fit Center 4264 is at 4.127665 3.014549 2.214267 ESP Fit Center 4265 is at 3.790152 3.259767 2.214267 ESP Fit Center 4266 is at 3.409030 3.429454 2.214267 ESP Fit Center 4267 is at 3.000957 3.516192 2.214267 ESP Fit Center 4268 is at 2.583767 3.516192 2.214267 ESP Fit Center 4269 is at 2.175694 3.429454 2.214267 ESP Fit Center 4270 is at 1.794572 3.259767 2.214267 ESP Fit Center 4271 is at 4.127665 0.048540 2.214267 ESP Fit Center 4272 is at 4.406820 0.358572 2.214267 ESP Fit Center 4273 is at 4.615415 0.719869 2.214267 ESP Fit Center 4274 is at 4.744334 1.116640 2.214267 ESP Fit Center 4275 is at 4.910858 1.531544 1.809066 ESP Fit Center 4276 is at 4.870152 1.944842 1.809066 ESP Fit Center 4277 is at 4.749597 2.342258 1.809066 ESP Fit Center 4278 is at 4.553827 2.708518 1.809066 ESP Fit Center 4279 is at 4.290365 3.029547 1.809066 ESP Fit Center 4280 is at 3.969335 3.293010 1.809066 ESP Fit Center 4281 is at 3.603075 3.488780 1.809066 ESP Fit Center 4282 is at 3.205660 3.609334 1.809066 ESP Fit Center 4283 is at 2.792362 3.650041 1.809066 ESP Fit Center 4284 is at 2.379064 3.609334 1.809066 ESP Fit Center 4285 is at 4.553827 0.354571 1.809066 ESP Fit Center 4286 is at 4.749597 0.720831 1.809066 ESP Fit Center 4287 is at 4.870152 1.118246 1.809066 ESP Fit Center 4288 is at 4.952362 1.531544 1.387671 ESP Fit Center 4289 is at 4.913328 1.940327 1.387671 ESP Fit Center 4290 is at 4.797637 2.334335 1.387671 ESP Fit Center 4291 is at 4.609470 2.699329 1.387671 ESP Fit Center 4292 is at 4.355627 3.022115 1.387671 ESP Fit Center 4293 is at 4.045285 3.291028 1.387671 ESP Fit Center 4294 is at 3.689658 3.496350 1.387671 ESP Fit Center 4295 is at 3.301601 3.630657 1.387671 ESP Fit Center 4296 is at 2.895139 3.689098 1.387671 ESP Fit Center 4297 is at 4.797637 0.728753 1.387671 ESP Fit Center 4298 is at 4.913328 1.122762 1.387671 ESP Fit Center 4299 is at 4.910858 1.531544 0.966276 ESP Fit Center 4300 is at 4.870152 1.944842 0.966276 ESP Fit Center 4301 is at 4.749597 2.342258 0.966276 ESP Fit Center 4302 is at 4.553827 2.708518 0.966276 ESP Fit Center 4303 is at 4.290365 3.029547 0.966276 ESP Fit Center 4304 is at 3.969335 3.293010 0.966276 ESP Fit Center 4305 is at 3.603075 3.488780 0.966276 ESP Fit Center 4306 is at 3.205660 3.609334 0.966276 ESP Fit Center 4307 is at 4.870152 1.118246 0.966276 ESP Fit Center 4308 is at 4.615415 2.343220 0.561075 ESP Fit Center 4309 is at 4.406820 2.704517 0.561075 ESP Fit Center 4310 is at 4.127665 3.014549 0.561075 ESP Fit Center 4311 is at 1.825220 3.806478 1.112245 ESP Fit Center 4312 is at 1.414555 3.734067 1.112245 ESP Fit Center 4313 is at 2.927436 3.741765 0.738809 ESP Fit Center 4314 is at 2.546314 3.911451 0.738809 ESP Fit Center 4315 is at 2.138241 3.998190 0.738809 ESP Fit Center 4316 is at 1.721051 3.998190 0.738809 ESP Fit Center 4317 is at 3.106620 3.775007 0.333608 ESP Fit Center 4318 is at 2.740360 3.970777 0.333608 ESP Fit Center 4319 is at 2.342944 4.091332 0.333608 ESP Fit Center 4320 is at 1.929646 4.132038 0.333608 ESP Fit Center 4321 is at 1.516348 4.091332 0.333608 ESP Fit Center 4322 is at 3.492912 3.504113 -0.087787 ESP Fit Center 4323 is at 3.182569 3.773026 -0.087787 ESP Fit Center 4324 is at 2.826943 3.978347 -0.087787 ESP Fit Center 4325 is at 2.438886 4.112655 -0.087787 ESP Fit Center 4326 is at 2.032423 4.171096 -0.087787 ESP Fit Center 4327 is at 1.622246 4.151556 -0.087787 ESP Fit Center 4328 is at 3.691111 3.190516 -0.509182 ESP Fit Center 4329 is at 3.427649 3.511545 -0.509182 ESP Fit Center 4330 is at 3.106620 3.775007 -0.509182 ESP Fit Center 4331 is at 2.740360 3.970777 -0.509182 ESP Fit Center 4332 is at 2.342944 4.091332 -0.509182 ESP Fit Center 4333 is at 1.929646 4.132038 -0.509182 ESP Fit Center 4334 is at 1.516348 4.091332 -0.509182 ESP Fit Center 4335 is at 3.752699 2.825218 -0.914383 ESP Fit Center 4336 is at 3.544104 3.186515 -0.914383 ESP Fit Center 4337 is at 3.264950 3.496547 -0.914383 ESP Fit Center 4338 is at 2.927436 3.741765 -0.914383 ESP Fit Center 4339 is at 2.546314 3.911451 -0.914383 ESP Fit Center 4340 is at 2.138241 3.998190 -0.914383 ESP Fit Center 4341 is at 1.721051 3.998190 -0.914383 ESP Fit Center 4342 is at 3.534588 2.819574 -1.287819 ESP Fit Center 4343 is at 3.305442 3.167972 -1.287819 ESP Fit Center 4344 is at 3.002128 3.454135 -1.287819 ESP Fit Center 4345 is at 2.640995 3.662635 -1.287819 ESP Fit Center 4346 is at 2.241514 3.782232 -1.287819 ESP Fit Center 4347 is at 1.825220 3.806478 -1.287819 ESP Fit Center 4348 is at 1.414555 3.734067 -1.287819 ESP Fit Center 4349 is at 3.400359 2.425616 -1.615138 ESP Fit Center 4350 is at 3.234644 2.807129 -1.615138 ESP Fit Center 4351 is at 2.972144 3.129785 -1.615138 ESP Fit Center 4352 is at 2.632327 3.369654 -1.615138 ESP Fit Center 4353 is at 2.240395 3.508947 -1.615138 ESP Fit Center 4354 is at 1.825416 3.537332 -1.615138 ESP Fit Center 4355 is at 1.418168 3.452705 -1.615138 ESP Fit Center 4356 is at 3.129678 2.013542 -1.883762 ESP Fit Center 4357 is at 3.057307 2.423977 -1.883762 ESP Fit Center 4358 is at 2.848924 2.784908 -1.883762 ESP Fit Center 4359 is at 2.529662 3.052800 -1.883762 ESP Fit Center 4360 is at 2.138030 3.195343 -1.883762 ESP Fit Center 4361 is at 1.721263 3.195343 -1.883762 ESP Fit Center 4362 is at 2.756242 2.013542 -2.083367 ESP Fit Center 4363 is at 2.645500 2.426840 -2.083367 ESP Fit Center 4364 is at 2.342944 2.729395 -2.083367 ESP Fit Center 4365 is at 1.929646 2.840138 -2.083367 ESP Fit Center 4366 is at 2.140344 2.378481 -2.206283 ESP Fit Center 4367 is at -1.438414 3.137276 1.909485 ESP Fit Center 4368 is at -1.739714 3.375653 1.721109 ESP Fit Center 4369 is at -1.541582 3.860998 1.484985 ESP Fit Center 4370 is at -1.903288 3.669234 1.484985 ESP Fit Center 4371 is at -1.557912 4.174122 1.205511 ESP Fit Center 4372 is at -1.937066 4.000968 1.205511 ESP Fit Center 4373 is at -2.276600 3.759187 1.205511 ESP Fit Center 4374 is at -1.558495 4.445678 0.887892 ESP Fit Center 4375 is at -1.944221 4.290681 0.887892 ESP Fit Center 4376 is at -2.298205 4.072724 0.887892 ESP Fit Center 4377 is at -1.663927 4.635487 0.538046 ESP Fit Center 4378 is at -2.050087 4.475535 0.538046 ESP Fit Center 4379 is at -2.406470 4.257143 0.538046 ESP Fit Center 4380 is at -1.354260 4.881961 0.162490 ESP Fit Center 4381 is at -1.753525 4.777580 0.162490 ESP Fit Center 4382 is at -2.133337 4.616177 0.162490 ESP Fit Center 4383 is at -2.485601 4.401193 0.162490 ESP Fit Center 4384 is at -1.147839 5.023362 -0.231781 ESP Fit Center 4385 is at -1.551398 4.952203 -0.231781 ESP Fit Center 4386 is at -1.941127 4.825573 -0.231781 ESP Fit Center 4387 is at -2.309439 4.645935 -0.231781 ESP Fit Center 4388 is at -2.649166 4.416786 -0.231781 ESP Fit Center 4389 is at -0.736358 5.093383 -0.637422 ESP Fit Center 4390 is at -1.153667 5.078810 -0.637422 ESP Fit Center 4391 is at -1.564886 5.006301 -0.637422 ESP Fit Center 4392 is at -1.962012 4.877267 -0.637422 ESP Fit Center 4393 is at -2.337316 4.694220 -0.637422 ESP Fit Center 4394 is at -2.683491 4.460721 -0.637422 ESP Fit Center 4395 is at -2.993801 4.181317 -0.637422 ESP Fit Center 4396 is at 0.084077 4.948718 -1.046876 ESP Fit Center 4397 is at -0.321082 5.049736 -1.046876 ESP Fit Center 4398 is at -0.736358 5.093383 -1.046876 ESP Fit Center 4399 is at -1.153667 5.078810 -1.046876 ESP Fit Center 4400 is at -1.564886 5.006301 -1.046876 ESP Fit Center 4401 is at -1.962012 4.877267 -1.046876 ESP Fit Center 4402 is at -2.337316 4.694220 -1.046876 ESP Fit Center 4403 is at -2.683491 4.460721 -1.046876 ESP Fit Center 4404 is at -2.993801 4.181317 -1.046876 ESP Fit Center 4405 is at 1.409253 3.990229 -1.452517 ESP Fit Center 4406 is at 1.124593 4.285004 -1.452517 ESP Fit Center 4407 is at 0.801678 4.537293 -1.452517 ESP Fit Center 4408 is at 0.446794 4.742185 -1.452517 ESP Fit Center 4409 is at 0.066848 4.895693 -1.452517 ESP Fit Center 4410 is at -0.330764 4.994829 -1.452517 ESP Fit Center 4411 is at -0.738304 5.037663 -1.452517 ESP Fit Center 4412 is at -1.147839 5.023362 -1.452517 ESP Fit Center 4413 is at -1.551398 4.952203 -1.452517 ESP Fit Center 4414 is at -1.941127 4.825573 -1.452517 ESP Fit Center 4415 is at -2.309439 4.645935 -1.452517 ESP Fit Center 4416 is at -2.649166 4.416786 -1.452517 ESP Fit Center 4417 is at -2.953695 4.142587 -1.452517 ESP Fit Center 4418 is at -3.217099 3.828674 -1.452517 ESP Fit Center 4419 is at 1.516718 3.661928 -1.846788 ESP Fit Center 4420 is at 1.264497 3.988565 -1.846788 ESP Fit Center 4421 is at 0.967404 4.274999 -1.846788 ESP Fit Center 4422 is at 0.631773 4.515122 -1.846788 ESP Fit Center 4423 is at -2.802809 4.137211 -1.846788 ESP Fit Center 4424 is at -3.078201 3.829855 -1.846788 ESP Fit Center 4425 is at -3.305907 3.485678 -1.846788 ESP Fit Center 4426 is at 1.532522 3.311474 -2.222344 ESP Fit Center 4427 is at 1.314130 3.667858 -2.222344 ESP Fit Center 4428 is at -3.214147 3.311474 -2.222344 ESP Fit Center 4429 is at -3.374100 2.925315 -2.222344 ESP Fit Center 4430 is at -3.471674 2.518888 -2.222344 ESP Fit Center 4431 is at -3.504468 2.102200 -2.222344 ESP Fit Center 4432 is at -3.471674 1.685512 -2.222344 ESP Fit Center 4433 is at 1.470095 2.918696 -2.572190 ESP Fit Center 4434 is at 1.298866 3.297496 -2.572190 ESP Fit Center 4435 is at -3.212639 2.719776 -2.572190 ESP Fit Center 4436 is at -3.282893 2.310052 -2.572190 ESP Fit Center 4437 is at -3.282893 1.894348 -2.572190 ESP Fit Center 4438 is at -3.212639 1.484625 -2.572190 ESP Fit Center 4439 is at -3.023393 2.310611 -2.889808 ESP Fit Center 4440 is at -3.023393 1.893789 -2.889808 ESP Fit Center 4441 is at -2.944508 1.484499 -2.889808 ESP Fit Center 4442 is at -2.634970 1.497678 -3.169283 ESP Fit Center 4443 is at -2.270517 1.481192 -3.405407 ESP Fit Center 4444 is at 0.457154 -0.692713 -3.625997 ESP Fit Center 4445 is at 0.337628 1.726356 -3.814372 ESP Fit Center 4446 is at 0.337628 -0.343797 -3.814372 ESP Fit Center 4447 is at 0.144722 1.392232 -3.951490 ESP Fit Center 4448 is at -0.259973 1.500670 -3.951490 ESP Fit Center 4449 is at -0.664668 1.392232 -3.951490 ESP Fit Center 4450 is at 0.144722 -0.009673 -3.951490 ESP Fit Center 4451 is at 0.440979 0.286584 -3.951490 ESP Fit Center 4452 is at 0.148527 0.691279 -4.034796 ESP Fit Center 4453 is at -0.055723 1.045051 -4.034796 ESP Fit Center 4454 is at -0.464223 1.045051 -4.034796 ESP Fit Center 4455 is at -0.055723 0.337508 -4.034796 ESP Fit Center 4456 is at -0.259973 0.691279 -4.062738 ESP Fit Center 4457 is at -2.476428 3.103854 1.627879 ESP Fit Center 4458 is at -2.393044 3.518240 1.387925 ESP Fit Center 4459 is at -2.766068 3.324955 1.387925 ESP Fit Center 4460 is at -3.073111 3.038197 1.387925 ESP Fit Center 4461 is at -3.291401 2.679233 1.387925 ESP Fit Center 4462 is at -2.403718 3.825894 1.092108 ESP Fit Center 4463 is at -2.795682 3.656817 1.092108 ESP Fit Center 4464 is at -3.138088 3.401905 1.092108 ESP Fit Center 4465 is at -3.412478 3.074900 1.092108 ESP Fit Center 4466 is at -3.604060 2.693430 1.092108 ESP Fit Center 4467 is at -3.702504 2.278061 1.092108 ESP Fit Center 4468 is at -2.791770 3.930675 0.749418 ESP Fit Center 4469 is at -3.148667 3.708220 0.749418 ESP Fit Center 4470 is at -3.453478 3.418476 0.749418 ESP Fit Center 4471 is at -3.693724 3.073305 0.749418 ESP Fit Center 4472 is at -3.859570 2.686838 0.749418 ESP Fit Center 4473 is at -3.944225 2.274898 0.749418 ESP Fit Center 4474 is at -3.944225 1.854349 0.749418 ESP Fit Center 4475 is at -3.004060 4.017738 0.370266 ESP Fit Center 4476 is at -3.353311 3.769037 0.370266 ESP Fit Center 4477 is at -3.649184 3.458734 0.370266 ESP Fit Center 4478 is at -3.880986 3.098045 0.370266 ESP Fit Center 4479 is at -4.040337 2.700004 0.370266 ESP Fit Center 4480 is at -4.121479 2.279000 0.370266 ESP Fit Center 4481 is at -4.121479 1.850247 0.370266 ESP Fit Center 4482 is at -2.805358 4.237963 -0.033826 ESP Fit Center 4483 is at -3.178495 4.037170 -0.033826 ESP Fit Center 4484 is at -3.509782 3.772977 -0.033826 ESP Fit Center 4485 is at -3.788571 3.453877 -0.033826 ESP Fit Center 4486 is at -4.005903 3.090125 -0.033826 ESP Fit Center 4487 is at -4.154792 2.693412 -0.033826 ESP Fit Center 4488 is at -4.230452 2.276490 -0.033826 ESP Fit Center 4489 is at -4.230452 1.852758 -0.033826 ESP Fit Center 4490 is at -3.076428 4.143085 -0.450582 ESP Fit Center 4491 is at -3.419119 3.903130 -0.450582 ESP Fit Center 4492 is at -3.714935 3.607314 -0.450582 ESP Fit Center 4493 is at -3.954889 3.264624 -0.450582 ESP Fit Center 4494 is at -4.131691 2.885472 -0.450582 ESP Fit Center 4495 is at -4.239967 2.481379 -0.450582 ESP Fit Center 4496 is at -4.276428 2.064624 -0.450582 ESP Fit Center 4497 is at -3.178495 4.037170 -0.867338 ESP Fit Center 4498 is at -3.509782 3.772977 -0.867338 ESP Fit Center 4499 is at -3.788571 3.453877 -0.867338 ESP Fit Center 4500 is at -4.005903 3.090125 -0.867338 ESP Fit Center 4501 is at -4.154792 2.693412 -0.867338 ESP Fit Center 4502 is at -4.230452 2.276490 -0.867338 ESP Fit Center 4503 is at -4.230452 1.852758 -0.867338 ESP Fit Center 4504 is at -3.353311 3.769037 -1.271430 ESP Fit Center 4505 is at -3.649184 3.458734 -1.271430 ESP Fit Center 4506 is at -3.880986 3.098045 -1.271430 ESP Fit Center 4507 is at -4.040337 2.700004 -1.271430 ESP Fit Center 4508 is at -4.121479 2.279000 -1.271430 ESP Fit Center 4509 is at -4.121479 1.850247 -1.271430 ESP Fit Center 4510 is at -3.453478 3.418476 -1.650582 ESP Fit Center 4511 is at -3.693724 3.073305 -1.650582 ESP Fit Center 4512 is at -3.859570 2.686838 -1.650582 ESP Fit Center 4513 is at -3.944225 2.274898 -1.650582 ESP Fit Center 4514 is at -3.944225 1.854349 -1.650582 ESP Fit Center 4515 is at -3.604060 2.693430 -1.993272 ESP Fit Center 4516 is at -3.702504 2.278061 -1.993272 ESP Fit Center 4517 is at -3.702504 1.851186 -1.993272 ESP Fit Center 4518 is at 0.315772 4.708627 -1.818085 ESP Fit Center 4519 is at -0.063379 4.885428 -1.818085 ESP Fit Center 4520 is at -0.467472 4.993705 -1.818085 ESP Fit Center 4521 is at -0.884228 5.030166 -1.818085 ESP Fit Center 4522 is at -1.300983 4.993705 -1.818085 ESP Fit Center 4523 is at -1.705076 4.885428 -1.818085 ESP Fit Center 4524 is at -2.084228 4.708627 -1.818085 ESP Fit Center 4525 is at -2.426918 4.468673 -1.818085 ESP Fit Center 4526 is at 0.895686 4.185230 -2.234840 ESP Fit Center 4527 is at 0.589415 4.478055 -2.234840 ESP Fit Center 4528 is at 0.235779 4.711488 -2.234840 ESP Fit Center 4529 is at -0.153854 4.878025 -2.234840 ESP Fit Center 4530 is at -0.566962 4.972314 -2.234840 ESP Fit Center 4531 is at -0.990267 4.991325 -2.234840 ESP Fit Center 4532 is at -1.410164 4.934446 -2.234840 ESP Fit Center 4533 is at -1.813157 4.803505 -2.234840 ESP Fit Center 4534 is at -2.186294 4.602712 -2.234840 ESP Fit Center 4535 is at -2.517581 4.338520 -2.234840 ESP Fit Center 4536 is at -2.796371 4.019419 -2.234840 ESP Fit Center 4537 is at -3.013702 3.655667 -2.234840 ESP Fit Center 4538 is at 1.209486 3.468362 -2.638933 ESP Fit Center 4539 is at 1.013020 3.849453 -2.638933 ESP Fit Center 4540 is at 0.747982 4.186475 -2.638933 ESP Fit Center 4541 is at 0.423953 4.467249 -2.638933 ESP Fit Center 4542 is at 0.052642 4.681625 -2.638933 ESP Fit Center 4543 is at -0.352529 4.821856 -2.638933 ESP Fit Center 4544 is at -0.776918 4.882874 -2.638933 ESP Fit Center 4545 is at -1.205185 4.862473 -2.638933 ESP Fit Center 4546 is at -1.621852 4.761391 -2.638933 ESP Fit Center 4547 is at -2.011859 4.583281 -2.638933 ESP Fit Center 4548 is at -2.361110 4.334580 -2.638933 ESP Fit Center 4549 is at -2.656984 4.024277 -2.638933 ESP Fit Center 4550 is at -2.888785 3.663587 -2.638933 ESP Fit Center 4551 is at -3.048136 3.265547 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Fit Center 4570 is at 0.904722 3.054155 -3.360775 ESP Fit Center 4571 is at 0.758722 3.455286 -3.360775 ESP Fit Center 4572 is at 0.524150 3.811935 -3.360775 ESP Fit Center 4573 is at 0.213652 4.104875 -3.360775 ESP Fit Center 4574 is at -0.156032 4.318313 -3.360775 ESP Fit Center 4575 is at -0.564974 4.440742 -3.360775 ESP Fit Center 4576 is at -0.991127 4.465562 -3.360775 ESP Fit Center 4577 is at -1.411517 4.391436 -3.360775 ESP Fit Center 4578 is at -1.803481 4.222360 -3.360775 ESP Fit Center 4579 is at -2.145887 3.967447 -3.360775 ESP Fit Center 4580 is at -2.420278 3.640442 -3.360775 ESP Fit Center 4581 is at -2.611859 3.258972 -3.360775 ESP Fit Center 4582 is at -2.710303 2.843604 -3.360775 ESP Fit Center 4583 is at -2.710303 2.416728 -3.360775 ESP Fit Center 4584 is at -2.611859 2.001360 -3.360775 ESP Fit Center 4585 is at -2.420278 1.619890 -3.360775 ESP Fit Center 4586 is at 0.658463 2.630166 -3.656591 ESP Fit Center 4587 is at 0.601255 3.046379 -3.656591 ESP Fit Center 4588 is at 0.433877 3.431723 -3.656591 ESP Fit Center 4589 is at 0.168740 3.757620 -3.656591 ESP Fit Center 4590 is at -0.174490 3.999898 -3.656591 ESP Fit Center 4591 is at -0.570358 4.140590 -3.656591 ESP Fit Center 4592 is at -0.989505 4.169260 -3.656591 ESP Fit Center 4593 is at -1.400843 4.083783 -3.656591 ESP Fit Center 4594 is at -1.773867 3.890498 -3.656591 ESP Fit Center 4595 is at -2.080910 3.603739 -3.656591 ESP Fit Center 4596 is at -2.299201 3.244776 -3.656591 ESP Fit Center 4597 is at -2.412549 2.840229 -3.656591 ESP Fit Center 4598 is at -2.412549 2.420103 -3.656591 ESP Fit Center 4599 is at -2.299201 2.015557 -3.656591 ESP Fit Center 4600 is at -2.080910 1.656593 -3.656591 ESP Fit Center 4601 is at 0.601255 2.213953 -3.656591 ESP Fit Center 4602 is at 0.315772 2.630166 -3.896546 ESP Fit Center 4603 is at 0.243404 3.040590 -3.896546 ESP Fit Center 4604 is at 0.035026 3.401511 -3.896546 ESP Fit Center 4605 is at -0.284228 3.669397 -3.896546 ESP Fit Center 4606 is at -0.675850 3.811935 -3.896546 ESP Fit Center 4607 is at -1.092605 3.811935 -3.896546 ESP Fit Center 4608 is at -1.484228 3.669397 -3.896546 ESP Fit Center 4609 is at -1.803481 3.401511 -3.896546 ESP Fit Center 4610 is at -2.011859 3.040590 -3.896546 ESP Fit Center 4611 is at -2.084228 2.630166 -3.896546 ESP Fit Center 4612 is at -2.011859 2.219742 -3.896546 ESP Fit Center 4613 is at -1.803481 1.858821 -3.896546 ESP Fit Center 4614 is at -1.484228 1.590936 -3.896546 ESP Fit Center 4615 is at -1.092605 1.448397 -3.896546 ESP Fit Center 4616 is at 0.035026 1.858821 -3.896546 ESP Fit Center 4617 is at 0.243404 2.219742 -3.896546 ESP Fit Center 4618 is at -0.063379 2.630166 -4.073347 ESP Fit Center 4619 is at -0.173352 3.040590 -4.073347 ESP Fit Center 4620 is at -0.473803 3.341042 -4.073347 ESP Fit Center 4621 is at -0.884228 3.451014 -4.073347 ESP Fit Center 4622 is at -1.294652 3.341042 -4.073347 ESP Fit Center 4623 is at -1.595103 3.040590 -4.073347 ESP Fit Center 4624 is at -1.705076 2.630166 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Center 4643 is at 0.832792 3.834825 1.684986 ESP Fit Center 4644 is at 0.489562 4.077103 1.684986 ESP Fit Center 4645 is at 0.093693 4.217795 1.684986 ESP Fit Center 4646 is at -0.325453 4.246465 1.684986 ESP Fit Center 4647 is at -0.736792 4.160988 1.684986 ESP Fit Center 4648 is at -1.109815 3.967703 1.684986 ESP Fit Center 4649 is at -1.416858 3.680945 1.684986 ESP Fit Center 4650 is at 1.188202 3.889141 1.389170 ESP Fit Center 4651 is at 0.877704 4.182080 1.389170 ESP Fit Center 4652 is at 0.508019 4.395518 1.389170 ESP Fit Center 4653 is at 0.099077 4.517947 1.389170 ESP Fit Center 4654 is at -0.327076 4.542768 1.389170 ESP Fit Center 4655 is at -0.747466 4.468642 1.389170 ESP Fit Center 4656 is at -1.139429 4.299565 1.389170 ESP Fit Center 4657 is at -1.481836 4.044653 1.389170 ESP Fit Center 4658 is at 1.211815 4.213825 1.046480 ESP Fit Center 4659 is at 0.879255 4.471245 1.046480 ESP Fit Center 4660 is at 0.501684 4.656453 1.046480 ESP Fit Center 4661 is at 0.094561 4.761864 1.046480 ESP Fit Center 4662 is at -0.325448 4.783165 1.046480 ESP Fit Center 4663 is at -0.741148 4.719482 1.046480 ESP Fit Center 4664 is at -1.135518 4.573423 1.046480 ESP Fit Center 4665 is at -1.492415 4.350968 1.046480 ESP Fit Center 4666 is at 1.412034 4.263681 0.667328 ESP Fit Center 4667 is at 1.088004 4.544454 0.667328 ESP Fit Center 4668 is at 0.716694 4.758830 0.667328 ESP Fit Center 4669 is at 0.311522 4.899062 0.667328 ESP Fit Center 4670 is at -0.112866 4.960079 0.667328 ESP Fit Center 4671 is at -0.541133 4.939679 0.667328 ESP Fit Center 4672 is at -0.957800 4.838596 0.667328 ESP Fit Center 4673 is at -1.347807 4.660486 0.667328 ESP Fit Center 4674 is at 1.253466 4.555260 0.263235 ESP Fit Center 4675 is at 0.899831 4.788693 0.263235 ESP Fit Center 4676 is at 0.510197 4.955230 0.263235 ESP Fit Center 4677 is at 0.097089 5.049520 0.263235 ESP Fit Center 4678 is at -0.326216 5.068530 0.263235 ESP Fit Center 4679 is at -0.746113 5.011651 0.263235 ESP Fit Center 4680 is at -1.149106 4.880711 0.263235 ESP Fit Center 4681 is at 1.322514 4.545878 -0.153520 ESP Fit Center 4682 is at 0.979824 4.785832 -0.153520 ESP Fit Center 4683 is at 0.600672 4.962634 -0.153520 ESP Fit Center 4684 is at 0.196580 5.070910 -0.153520 ESP Fit Center 4685 is at -0.220176 5.107372 -0.153520 ESP Fit Center 4686 is at -0.636932 5.070910 -0.153520 ESP Fit Center 4687 is at 1.253466 4.555260 -0.570276 ESP Fit Center 4688 is at 0.899831 4.788693 -0.570276 ESP Fit Center 4689 is at 0.510197 4.955230 -0.570276 ESP Fit Center 4690 is at 0.097089 5.049520 -0.570276 ESP Fit Center 4691 is at -0.326216 5.068530 -0.570276 ESP Fit Center 4692 is at 1.412034 4.263681 -0.974369 ESP Fit Center 4693 is at 1.088004 4.544454 -0.974369 ESP Fit Center 4694 is at 0.716694 4.758830 -0.974369 ESP Fit Center 4695 is at 0.311522 4.899062 -0.974369 ESP Fit Center 4696 is at 2.921697 1.230253 -2.414497 ESP Fit Center 4697 is at 2.800904 1.641638 -2.414497 ESP Fit Center 4698 is at 2.604438 2.022728 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4717 is at 1.760158 1.930895 -3.432156 ESP Fit Center 4718 is at 1.416928 2.173173 -3.432156 ESP Fit Center 4719 is at 1.021060 2.313865 -3.432156 ESP Fit Center 4720 is at 1.907190 0.803442 -3.672110 ESP Fit Center 4721 is at 1.834821 1.213866 -3.672110 ESP Fit Center 4722 is at 1.626444 1.574787 -3.672110 ESP Fit Center 4723 is at 1.307190 1.842672 -3.672110 ESP Fit Center 4724 is at 0.915568 1.985211 -3.672110 ESP Fit Center 4725 is at 0.498812 1.985211 -3.672110 ESP Fit Center 4726 is at 1.834821 0.393017 -3.672110 ESP Fit Center 4727 is at 1.528039 0.803442 -3.848911 ESP Fit Center 4728 is at 1.418066 1.213866 -3.848911 ESP Fit Center 4729 is at 1.117614 1.514317 -3.848911 ESP Fit Center 4730 is at 0.707190 1.624290 -3.848911 ESP Fit Center 4731 is at 0.707190 -0.017407 -3.848911 ESP Fit Center 4732 is at 1.117614 0.092566 -3.848911 ESP Fit Center 4733 is at 1.418066 0.393017 -3.848911 ESP Fit Center 4734 is at 1.123946 0.803442 -3.957188 ESP Fit Center 4735 is at 0.915568 1.164363 -3.957188 ESP Fit Center 4736 is at 0.498812 1.164363 -3.957188 ESP Fit Center 4737 is at 0.498812 0.442521 -3.957188 ESP Fit Center 4738 is at 0.915568 0.442521 -3.957188 ESP Fit Center 4739 is at 0.707190 0.803442 -3.993649 ESP Fit Center 4740 is at -2.741853 1.182768 -2.987974 ESP Fit Center 4741 is at -2.907699 0.796301 -2.987974 ESP Fit Center 4742 is at -2.501607 -1.179766 -2.987974 ESP Fit Center 4743 is at -2.196797 -1.469510 -2.987974 ESP Fit Center 4744 is at -1.839900 -1.691965 -2.987974 ESP Fit Center 4745 is at -2.460608 1.184363 -3.330664 ESP Fit Center 4746 is at -2.652189 0.802893 -3.330664 ESP Fit Center 4747 is at -2.750633 0.387524 -3.330664 ESP Fit Center 4748 is at -2.750633 -0.039351 -3.330664 ESP Fit Center 4749 is at -2.652189 -0.454720 -3.330664 ESP Fit Center 4750 is at -2.460608 -0.836189 -3.330664 ESP Fit Center 4751 is at -2.186218 -1.163195 -3.330664 ESP Fit Center 4752 is at -1.843811 -1.418107 -3.330664 ESP Fit Center 4753 is at -1.451848 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0.584511 -3.866435 ESP Fit Center 4772 is at -2.124558 0.174087 -3.866435 ESP Fit Center 4773 is at -2.052189 -0.236338 -3.866435 ESP Fit Center 4774 is at -1.843811 -0.597259 -3.866435 ESP Fit Center 4775 is at -1.524558 -0.865144 -3.866435 ESP Fit Center 4776 is at -1.132936 -1.007683 -3.866435 ESP Fit Center 4777 is at -0.716180 -1.007683 -3.866435 ESP Fit Center 4778 is at -0.324558 -0.865144 -3.866435 ESP Fit Center 4779 is at -0.005305 -0.597259 -3.866435 ESP Fit Center 4780 is at -0.103710 0.174087 -4.043236 ESP Fit Center 4781 is at -0.924558 0.994935 -4.043236 ESP Fit Center 4782 is at -1.334982 0.884962 -4.043236 ESP Fit Center 4783 is at -1.635434 0.584511 -4.043236 ESP Fit Center 4784 is at -1.745406 0.174087 -4.043236 ESP Fit Center 4785 is at -1.635434 -0.236338 -4.043236 ESP Fit Center 4786 is at -1.334982 -0.536789 -4.043236 ESP Fit Center 4787 is at -0.924558 -0.646762 -4.043236 ESP Fit Center 4788 is at -0.514134 -0.536789 -4.043236 ESP Fit Center 4789 is at -0.213683 -0.236338 -4.043236 ESP Fit Center 4790 is at -0.507803 0.174087 -4.151513 ESP Fit Center 4791 is at -0.716180 0.535008 -4.151513 ESP Fit Center 4792 is at -1.132936 0.535008 -4.151513 ESP Fit Center 4793 is at -1.341314 0.174087 -4.151513 ESP Fit Center 4794 is at -1.132936 -0.186834 -4.151513 ESP Fit Center 4795 is at -0.716180 -0.186834 -4.151513 ESP Fit Center 4796 is at -0.924558 0.174087 -4.187974 ESP Fit Center 4797 is at -0.975010 0.457456 3.834621 ESP Fit Center 4798 is at -1.379705 0.565893 3.834621 ESP Fit Center 4799 is at -1.784400 0.457456 3.834621 ESP Fit Center 4800 is at -1.172160 0.933548 3.697503 ESP Fit Center 4801 is at -2.295284 0.524765 3.697503 ESP Fit Center 4802 is at -2.502829 0.165287 3.697503 ESP Fit Center 4803 is at -2.809410 0.377511 3.509127 ESP Fit Center 4804 is at -2.923939 -0.031247 3.509127 ESP Fit Center 4805 is at -2.923939 -0.455747 3.509127 ESP Fit Center 4806 is at -3.173863 0.361025 3.273003 ESP Fit Center 4807 is at -3.261871 -0.038799 3.273003 ESP Fit Center 4808 is at -3.261871 -0.448195 3.273003 ESP Fit Center 4809 is at -3.173863 -0.848019 3.273003 ESP Fit Center 4810 is at -3.483401 0.374204 2.993529 ESP Fit Center 4811 is at -3.108572 -2.292338 2.743717 ESP Fit Center 4812 is at -3.287347 -2.582385 2.507593 ESP Fit Center 4813 is at -2.892873 -2.691910 2.507593 ESP Fit Center 4814 is at -3.303677 -2.895509 2.228119 ESP Fit Center 4815 is at -2.898604 -2.993778 2.228119 ESP Fit Center 4816 is at -2.482254 -3.013612 2.228119 ESP Fit Center 4817 is at -3.689986 -3.012068 1.910500 ESP Fit Center 4818 is at -3.304260 -3.167065 1.910500 ESP Fit Center 4819 is at -2.897887 -3.254645 1.910500 ESP Fit Center 4820 is at -2.482558 -3.272288 1.910500 ESP Fit Center 4821 is at -2.070222 -3.219487 1.910500 ESP Fit Center 4822 is at -3.795852 -3.196922 1.560654 ESP Fit Center 4823 is at -3.409692 -3.356874 1.560654 ESP Fit Center 4824 is at -4.231366 1.475406 1.185098 ESP Fit Center 4825 is at -4.231366 -3.122581 1.185098 ESP Fit Center 4826 is at -3.879102 -3.337564 1.185098 ESP Fit Center 4827 is at -4.055204 1.720148 0.790827 ESP Fit Center 4828 is at -4.394931 1.490999 0.790827 ESP Fit Center 4829 is at -4.394931 -3.138173 0.790827 ESP Fit Center 4830 is at -4.055204 -3.367322 0.790827 ESP Fit Center 4831 is at -4.429256 1.534934 0.385186 ESP Fit Center 4832 is at -4.739566 1.255530 0.385186 ESP Fit Center 4833 is at -4.739566 -2.902704 0.385186 ESP Fit Center 4834 is at -4.429256 -3.182108 0.385186 ESP Fit Center 4835 is at -4.429256 1.534934 -0.024268 ESP Fit Center 4836 is at -4.739566 1.255530 -0.024268 ESP Fit Center 4837 is at -5.007970 0.935658 -0.024268 ESP Fit Center 4838 is at -5.229245 0.581544 -0.024268 ESP Fit Center 4839 is at -5.229245 -2.228718 -0.024268 ESP Fit Center 4840 is at -5.007970 -2.582832 -0.024268 ESP Fit Center 4841 is at -4.739566 -2.902704 -0.024268 ESP Fit Center 4842 is at -4.429256 -3.182108 -0.024268 ESP Fit Center 4843 is at -5.180017 0.555369 -0.429909 ESP Fit Center 4844 is at -5.346692 0.181012 -0.429909 ESP Fit Center 4845 is at -5.459644 -0.212898 -0.429909 ESP Fit Center 4846 is at -5.516675 -0.618695 -0.429909 ESP Fit Center 4847 is at -5.516675 -1.028479 -0.429909 ESP Fit Center 4848 is at -5.459644 -1.434276 -0.429909 ESP Fit Center 4849 is at -5.346692 -1.828187 -0.429909 ESP Fit Center 4850 is at -5.180017 -2.202544 -0.429909 ESP Fit Center 4851 is at -4.962864 -2.550061 -0.429909 ESP Fit Center 4852 is at -4.699460 -2.863974 -0.429909 ESP Fit Center 4853 is at -5.226838 0.186227 -0.824180 ESP Fit Center 4854 is at -5.345732 -0.208959 -0.824180 ESP Fit Center 4855 is at -5.405819 -0.617245 -0.824180 ESP Fit Center 4856 is at -5.405819 -1.029929 -0.824180 ESP Fit Center 4857 is at -5.345732 -1.438215 -0.824180 ESP Fit Center 4858 is at -5.226838 -1.833401 -0.824180 ESP Fit Center 4859 is at -5.051672 -2.207065 -0.824180 ESP Fit Center 4860 is at -4.823966 -2.551242 -0.824180 ESP Fit Center 4861 is at -4.548574 -2.858598 -0.824180 ESP Fit 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ESP Fit Center 4880 is at -3.961078 -2.125584 -2.146675 ESP Fit Center 4881 is at -3.649053 -2.390621 -2.146675 ESP Fit Center 4882 is at -3.795719 -1.807297 -2.382799 ESP Fit Center 4883 is at -3.485479 -2.097040 -2.382799 ESP Fit Center 4884 is at -3.502156 -1.591849 -2.571175 ESP Fit Center 4885 is at -3.184179 -1.858663 -2.571175 ESP Fit Center 4886 is at -2.794122 -2.000633 -2.571175 ESP Fit Center 4887 is at -2.379033 -2.000633 -2.571175 ESP Fit Center 4888 is at -2.991273 -1.524540 -2.708293 ESP Fit Center 4889 is at -2.586577 -1.632977 -2.708293 ESP Fit Center 4890 is at -1.487380 1.111632 3.693834 ESP Fit Center 4891 is at -1.904136 1.111632 3.693834 ESP Fit Center 4892 is at -2.112514 0.750711 3.693834 ESP Fit Center 4893 is at -1.285334 1.461586 3.585557 ESP Fit Center 4894 is at -1.695758 1.571559 3.585557 ESP Fit Center 4895 is at -2.106182 1.461586 3.585557 ESP Fit Center 4896 is at -2.406634 1.161135 3.585557 ESP Fit Center 4897 is at -2.516607 0.750711 3.585557 ESP Fit 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Fit Center 5008 is at -2.148909 -2.740841 3.053153 ESP Fit Center 5009 is at -1.754538 -2.886900 3.053153 ESP Fit Center 5010 is at -1.338839 -2.950583 3.053153 ESP Fit Center 5011 is at -0.918830 -2.929282 3.053153 ESP Fit Center 5012 is at -0.511706 -2.823871 3.053153 ESP Fit Center 5013 is at -0.134136 -2.638663 3.053153 ESP Fit Center 5014 is at -2.710449 -2.579203 2.674001 ESP Fit Center 5015 is at -2.361198 -2.827904 2.674001 ESP Fit Center 5016 is at -1.971191 -3.006014 2.674001 ESP Fit Center 5017 is at -1.554524 -3.107096 2.674001 ESP Fit Center 5018 is at -1.126257 -3.127497 2.674001 ESP Fit Center 5019 is at -2.162496 -3.048129 2.269909 ESP Fit Center 5020 is at -1.759503 -3.179069 2.269909 ESP Fit Center 5021 is at -1.339606 -3.235948 2.269909 ESP Fit Center 5022 is at -1.650322 -3.238328 1.853153 ESP Fit Center 5023 is at -4.490512 1.505010 -0.280034 ESP Fit Center 5024 is at -4.769301 1.185910 -0.280034 ESP Fit Center 5025 is at -4.399849 1.635163 -0.696789 ESP Fit Center 5026 is at -4.695665 1.339347 -0.696789 ESP Fit Center 5027 is at -4.935619 0.996657 -0.696789 ESP Fit Center 5028 is at -5.112421 0.617505 -0.696789 ESP Fit Center 5029 is at -4.490512 1.505010 -1.113545 ESP Fit Center 5030 is at -4.769301 1.185910 -1.113545 ESP Fit Center 5031 is at -4.986633 0.822157 -1.113545 ESP Fit Center 5032 is at -5.135522 0.425445 -1.113545 ESP Fit Center 5033 is at -5.211182 0.008522 -1.113545 ESP Fit Center 5034 is at -4.334041 1.501070 -1.517638 ESP Fit Center 5035 is at -4.629914 1.190767 -1.517638 ESP Fit Center 5036 is at -4.861715 0.830078 -1.517638 ESP Fit Center 5037 is at -5.021067 0.432037 -1.517638 ESP Fit Center 5038 is at -5.102209 0.011033 -1.517638 ESP Fit Center 5039 is at -5.102209 -0.417720 -1.517638 ESP Fit Center 5040 is at -3.772500 1.662708 -1.896789 ESP Fit Center 5041 is at -4.129397 1.440253 -1.896789 ESP Fit Center 5042 is at -4.434207 1.150509 -1.896789 ESP Fit Center 5043 is at -4.674454 0.805338 -1.896789 ESP Fit Center 5044 is 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-2.374003 2.696754 ESP Fit Center 5117 is at -3.993440 0.926361 2.400938 ESP Fit Center 5118 is at -4.385404 0.757285 2.400938 ESP Fit Center 5119 is at -4.727810 0.502373 2.400938 ESP Fit Center 5120 is at -5.002200 0.175367 2.400938 ESP Fit Center 5121 is at -5.193781 -0.206102 2.400938 ESP Fit Center 5122 is at -5.292226 -0.621471 2.400938 ESP Fit Center 5123 is at -5.292226 -1.048346 2.400938 ESP Fit Center 5124 is at -5.193781 -1.463715 2.400938 ESP Fit Center 5125 is at -5.002200 -1.845185 2.400938 ESP Fit Center 5126 is at -4.727810 -2.172190 2.400938 ESP Fit Center 5127 is at -4.385404 -2.427102 2.400938 ESP Fit Center 5128 is at -3.993440 -2.596179 2.400938 ESP Fit Center 5129 is at -3.573050 -2.670305 2.400938 ESP Fit Center 5130 is at -3.987122 1.177202 2.058248 ESP Fit Center 5131 is at -4.381492 1.031143 2.058248 ESP Fit Center 5132 is at -4.738389 0.808688 2.058248 ESP Fit Center 5133 is at -5.043199 0.518944 2.058248 ESP Fit Center 5134 is at -5.283446 0.173773 2.058248 ESP Fit Center 5135 is at -5.449292 -0.212694 2.058248 ESP Fit Center 5136 is at -5.533947 -0.624634 2.058248 ESP Fit Center 5137 is at -5.533947 -1.045183 2.058248 ESP Fit Center 5138 is at -5.449292 -1.457123 2.058248 ESP Fit Center 5139 is at -5.283446 -1.843590 2.058248 ESP Fit Center 5140 is at -5.043199 -2.188761 2.058248 ESP Fit Center 5141 is at -4.738389 -2.478505 2.058248 ESP Fit Center 5142 is at -4.381492 -2.700960 2.058248 ESP Fit Center 5143 is at -3.987122 -2.847019 2.058248 ESP Fit Center 5144 is at -4.203774 1.296316 1.679096 ESP Fit Center 5145 is at -4.593781 1.118206 1.679096 ESP Fit Center 5146 is at -4.943033 0.869505 1.679096 ESP Fit Center 5147 is at -5.238906 0.559202 1.679096 ESP Fit Center 5148 is at -5.470707 0.198512 1.679096 ESP Fit Center 5149 is at -5.630059 -0.199528 1.679096 ESP Fit Center 5150 is at -5.711201 -0.620532 1.679096 ESP Fit Center 5151 is at -5.711201 -1.049285 1.679096 ESP Fit Center 5152 is at -5.630059 -1.470289 1.679096 ESP Fit Center 5153 is at -5.470707 -1.868330 1.679096 ESP Fit Center 5154 is at -5.238906 -2.229019 1.679096 ESP Fit Center 5155 is at -4.943033 -2.539322 1.679096 ESP Fit Center 5156 is at -4.593781 -2.788023 1.679096 ESP Fit Center 5157 is at -4.203774 -2.966133 1.679096 ESP Fit Center 5158 is at -4.395080 1.338431 1.275003 ESP Fit Center 5159 is at -4.768217 1.137637 1.275003 ESP Fit Center 5160 is at -5.099504 0.873445 1.275003 ESP Fit Center 5161 is at -5.378293 0.554344 1.275003 ESP Fit Center 5162 is at -5.595625 0.190592 1.275003 ESP Fit Center 5163 is at -5.744514 -0.206120 1.275003 ESP Fit Center 5164 is at -5.820174 -0.623043 1.275003 ESP Fit Center 5165 is at -5.820174 -1.046775 1.275003 ESP Fit Center 5166 is at -5.744514 -1.463697 1.275003 ESP Fit Center 5167 is at -5.595625 -1.860410 1.275003 ESP Fit Center 5168 is at -5.378293 -2.224162 1.275003 ESP Fit Center 5169 is at -5.099504 -2.543262 1.275003 ESP Fit Center 5170 is at -4.768217 -2.807455 1.275003 ESP Fit Center 5171 is at 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1.402741 ESP Fit Center 5208 is at -1.687540 -3.558069 1.402741 ESP Fit Center 5209 is at -3.687973 -3.513519 1.060051 ESP Fit Center 5210 is at -3.331077 -3.735974 1.060051 ESP Fit Center 5211 is at -2.936707 -3.882033 1.060051 ESP Fit Center 5212 is at -2.521007 -3.945716 1.060051 ESP Fit Center 5213 is at -2.100998 -3.924416 1.060051 ESP Fit Center 5214 is at -1.693875 -3.819004 1.060051 ESP Fit Center 5215 is at -3.892618 -3.574336 0.680900 ESP Fit Center 5216 is at -3.543366 -3.823037 0.680900 ESP Fit Center 5217 is at -3.153359 -4.001147 0.680900 ESP Fit Center 5218 is at -2.736692 -4.102230 0.680900 ESP Fit Center 5219 is at -2.308425 -4.122631 0.680900 ESP Fit Center 5220 is at -1.884037 -4.061613 0.680900 ESP Fit Center 5221 is at -1.478865 -3.921381 0.680900 ESP Fit Center 5222 is at -4.049088 -3.578276 0.276807 ESP Fit Center 5223 is at -3.717801 -3.842469 0.276807 ESP Fit Center 5224 is at -3.344665 -4.043262 0.276807 ESP Fit Center 5225 is at -2.941672 -4.174202 0.276807 ESP Fit Center 5226 is at -2.521775 -4.231081 0.276807 ESP Fit Center 5227 is at -2.098470 -4.212071 0.276807 ESP Fit Center 5228 is at -1.685361 -4.117781 0.276807 ESP Fit Center 5229 is at -4.254242 -3.412613 -0.139949 ESP Fit Center 5230 is at -3.958425 -3.708429 -0.139949 ESP Fit Center 5231 is at -3.615735 -3.948384 -0.139949 ESP Fit Center 5232 is at -3.236583 -4.125185 -0.139949 ESP Fit Center 5233 is at -2.832491 -4.233461 -0.139949 ESP Fit Center 5234 is at -2.415735 -4.269923 -0.139949 ESP Fit Center 5235 is at -1.998979 -4.233461 -0.139949 ESP Fit Center 5236 is at -1.594887 -4.125185 -0.139949 ESP Fit Center 5237 is at -4.327878 -3.259176 -0.556704 ESP Fit Center 5238 is at -4.049088 -3.578276 -0.556704 ESP Fit Center 5239 is at -3.717801 -3.842469 -0.556704 ESP Fit Center 5240 is at -3.344665 -4.043262 -0.556704 ESP Fit Center 5241 is at -2.941672 -4.174202 -0.556704 ESP Fit Center 5242 is at -2.521775 -4.231081 -0.556704 ESP Fit Center 5243 is at -2.098470 -4.212071 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-3.462116 -1.682639 ESP Fit Center 5262 is at -2.943025 -3.631193 -1.682639 ESP Fit Center 5263 is at -2.522635 -3.705319 -1.682639 ESP Fit Center 5264 is at -2.096482 -3.680498 -1.682639 ESP Fit Center 5265 is at -3.612417 -2.843496 -1.978455 ESP Fit Center 5266 is at -3.305374 -3.130254 -1.978455 ESP Fit Center 5267 is at -2.932351 -3.323539 -1.978455 ESP Fit Center 5268 is at -2.521012 -3.409017 -1.978455 ESP Fit Center 5269 is at -2.101865 -3.380346 -1.978455 ESP Fit Center 5270 is at -3.334988 -2.641268 -2.218410 ESP Fit Center 5271 is at -3.015735 -2.909153 -2.218410 ESP Fit Center 5272 is at -2.624113 -3.051692 -2.218410 ESP Fit Center 5273 is at -2.207357 -3.051692 -2.218410 ESP Fit Center 5274 is at -3.126611 -2.280347 -2.395211 ESP Fit Center 5275 is at -2.826159 -2.580798 -2.395211 ESP Fit Center 5276 is at -2.415735 -2.690771 -2.395211 ESP Fit Center 5277 is at -2.624113 -2.230844 -2.503487 ESP Fit Center 5278 is at -1.188698 -4.133660 0.001965 ESP Fit Center 5279 is at -0.813394 -4.316707 0.001965 ESP Fit Center 5280 is at -0.416268 -4.445742 0.001965 ESP Fit Center 5281 is at -0.005049 -4.518251 0.001965 ESP Fit Center 5282 is at 0.412260 -4.532823 0.001965 ESP Fit Center 5283 is at -1.188698 -4.133660 -0.407490 ESP Fit Center 5284 is at -0.813394 -4.316707 -0.407490 ESP Fit Center 5285 is at -0.416268 -4.445742 -0.407490 ESP Fit Center 5286 is at -0.005049 -4.518251 -0.407490 ESP Fit Center 5287 is at -0.402780 -4.391644 -0.813130 ESP Fit Center 5288 is at 0.000779 -4.462802 -0.813130 ESP Fit Center 5289 is at -0.205642 -4.321401 -1.207401 ESP Fit Center 5290 is at 2.216117 -3.581180 1.544252 ESP Fit Center 5291 is at 2.596436 -3.429647 1.544252 ESP Fit Center 5292 is at 1.813939 -3.946950 1.264777 ESP Fit Center 5293 is at 2.226518 -3.887630 1.264777 ESP Fit Center 5294 is at 2.620416 -3.751300 1.264777 ESP Fit Center 5295 is at 1.813634 -4.205626 0.947159 ESP Fit Center 5296 is at 2.225971 -4.152825 0.947159 ESP Fit Center 5297 is at 2.623452 -4.031097 0.947159 ESP Fit Center 5298 is at 2.994645 -3.843946 0.947159 ESP Fit Center 5299 is at 2.918889 -4.130260 0.597313 ESP Fit Center 5300 is at 3.275272 -3.911868 0.597313 ESP Fit Center 5301 is at 3.517832 -3.929724 0.221756 ESP Fit Center 5302 is at 3.814924 -3.643290 0.221756 ESP Fit Center 5303 is at 3.959681 -3.644955 -0.172514 ESP Fit Center 5304 is at 4.200546 -3.313432 -0.172514 ESP Fit Center 5305 is at 4.002391 -3.680793 -0.578155 ESP Fit Center 5306 is at 4.247828 -3.342977 -0.578155 ESP Fit Center 5307 is at 4.443862 -2.974290 -0.578155 ESP Fit Center 5308 is at 4.702621 -1.756925 -0.987610 ESP Fit Center 5309 is at 4.673493 -1.340379 -0.987610 ESP Fit Center 5310 is at 4.586677 -0.931941 -0.987610 ESP Fit Center 5311 is at 4.247828 -3.342977 -0.987610 ESP Fit Center 5312 is at 4.443862 -2.974290 -0.987610 ESP Fit Center 5313 is at 4.586677 -2.581910 -0.987610 ESP Fit Center 5314 is at 4.673493 -2.173471 -0.987610 ESP Fit Center 5315 is at 4.646867 -1.756925 -1.393250 ESP Fit Center 5316 is at 4.618282 -1.348139 -1.393250 ESP Fit Center 5317 is at 4.533083 -0.947309 -1.393250 ESP Fit Center 5318 is at 4.200546 -3.313432 -1.393250 ESP Fit Center 5319 is at 4.392928 -2.951613 -1.393250 ESP Fit Center 5320 is at 4.533083 -2.566542 -1.393250 ESP Fit Center 5321 is at 4.618282 -2.165712 -1.393250 ESP Fit Center 5322 is at 4.536398 -1.756925 -1.787521 ESP Fit Center 5323 is at 4.506274 -1.345342 -1.787521 ESP Fit Center 5324 is at 4.416544 -0.942532 -1.787521 ESP Fit Center 5325 is at 4.269120 -0.557078 -1.787521 ESP Fit Center 5326 is at 4.067146 -3.316653 -1.787521 ESP Fit Center 5327 is at 4.269120 -2.956772 -1.787521 ESP Fit Center 5328 is at 4.416544 -2.571319 -1.787521 ESP Fit Center 5329 is at 4.506274 -2.168508 -1.787521 ESP Fit Center 5330 is at 4.373271 -1.756925 -2.163077 ESP Fit Center 5331 is at 4.340477 -1.340238 -2.163077 ESP Fit Center 5332 is at 4.242902 -0.933810 -2.163077 ESP Fit Center 5333 is at 4.082949 -2.966200 -2.163077 ESP Fit Center 5334 is at 4.242902 -2.580040 -2.163077 ESP Fit Center 5335 is at 4.340477 -2.173613 -2.163077 ESP Fit Center 5336 is at 4.160525 -1.756925 -2.512923 ESP Fit Center 5337 is at 3.849294 -2.952221 -2.512923 ESP Fit Center 5338 is at 4.020522 -2.573421 -2.512923 ESP Fit Center 5339 is at 4.125270 -2.171131 -2.512923 ESP Fit Center 5340 is at 3.902123 -1.756925 -2.830542 ESP Fit Center 5341 is at 3.554070 -2.942284 -2.830542 ESP Fit Center 5342 is at 3.745069 -2.571798 -2.830542 ESP Fit Center 5343 is at 3.862501 -2.171860 -2.830542 ESP Fit Center 5344 is at 0.335114 -3.058922 -3.110016 ESP Fit Center 5345 is at 3.216829 -2.902680 -3.110016 ESP Fit Center 5346 is at 3.427895 -2.551886 -3.110016 ESP Fit Center 5347 is at 3.558615 -2.163921 -3.110016 ESP Fit Center 5348 is at 0.165381 -1.544675 -3.346141 ESP Fit Center 5349 is at 0.165381 -1.969175 -3.346141 ESP Fit Center 5350 is at 0.279910 -2.377934 -3.346141 ESP Fit Center 5351 is at 0.500473 -2.740635 -3.346141 ESP Fit Center 5352 is at 0.810713 -3.030378 -3.346141 ESP Fit Center 5353 is at 2.773546 -2.896117 -3.346141 ESP Fit Center 5354 is at 3.041443 -2.566828 -3.346141 ESP Fit Center 5355 is at 0.586491 -2.165709 -3.534516 ESP Fit Center 5356 is at 0.794036 -2.525187 -3.534516 ESP Fit Center 5357 is at 1.112013 -2.792002 -3.534516 ESP Fit Center 5358 is at 1.502070 -2.933971 -3.534516 ESP Fit Center 5359 is at 1.917160 -2.933971 -3.534516 ESP Fit Center 5360 is at 2.307217 -2.792002 -3.534516 ESP Fit Center 5361 is at 2.625194 -2.525187 -3.534516 ESP Fit Center 5362 is at 1.008662 -2.161620 -3.671634 ESP Fit Center 5363 is at 1.304920 -2.457878 -3.671634 ESP Fit Center 5364 is at 1.709615 -2.566315 -3.671634 ESP Fit Center 5365 is at 2.114310 -2.457878 -3.671634 ESP Fit Center 5366 is at -1.320337 -4.103735 -0.557305 ESP Fit Center 5367 is at -1.591407 -4.008856 -0.974061 ESP Fit Center 5368 is at -1.212255 -4.185658 -0.974061 ESP Fit Center 5369 is at -0.808163 -4.293934 -0.974061 ESP Fit Center 5370 is at -1.693473 -3.902942 -1.390816 ESP Fit Center 5371 is at -1.320337 -4.103735 -1.390816 ESP Fit Center 5372 is at -0.917344 -4.234675 -1.390816 ESP Fit Center 5373 is at -0.497447 -4.291554 -1.390816 ESP Fit Center 5374 is at -1.868290 -3.634809 -1.794909 ESP Fit Center 5375 is at -1.519038 -3.883510 -1.794909 ESP Fit Center 5376 is at -1.129031 -4.061620 -1.794909 ESP Fit Center 5377 is at -0.712364 -4.162702 -1.794909 ESP Fit Center 5378 is at -0.284097 -4.183103 -1.794909 ESP Fit Center 5379 is at -1.968456 -3.284248 -2.174061 ESP Fit Center 5380 is at -1.663645 -3.573992 -2.174061 ESP Fit Center 5381 is at -1.306749 -3.796447 -2.174061 ESP Fit Center 5382 is at -0.912378 -3.942506 -2.174061 ESP Fit Center 5383 is at -0.496679 -4.006189 -2.174061 ESP Fit Center 5384 is at -0.076670 -3.984888 -2.174061 ESP Fit Center 5385 is at -2.217482 -2.143833 -2.516751 ESP Fit Center 5386 is at -2.119038 -2.559202 -2.516751 ESP Fit Center 5387 is at -1.927457 -2.940671 -2.516751 ESP Fit Center 5388 is at -1.653067 -3.267677 -2.516751 ESP Fit Center 5389 is at -1.310660 -3.522589 -2.516751 ESP Fit Center 5390 is at -0.918697 -3.691666 -2.516751 ESP Fit Center 5391 is at -0.498307 -3.765792 -2.516751 ESP Fit Center 5392 is at -0.072154 -3.740971 -2.516751 ESP Fit Center 5393 is at -1.919729 -2.140458 -2.812567 ESP Fit Center 5394 is at -1.806380 -2.545005 -2.812567 ESP Fit Center 5395 is at -1.588089 -2.903969 -2.812567 ESP Fit Center 5396 is at -1.281046 -3.190727 -2.812567 ESP Fit Center 5397 is at -0.908022 -3.384012 -2.812567 ESP Fit Center 5398 is at -0.496684 -3.469489 -2.812567 ESP Fit Center 5399 is at -0.077537 -3.440819 -2.812567 ESP Fit Center 5400 is at -1.591407 -1.930395 -3.052522 ESP Fit Center 5401 is at -1.519038 -2.340820 -3.052522 ESP Fit Center 5402 is at -1.310660 -2.701741 -3.052522 ESP Fit Center 5403 is at -0.991407 -2.969626 -3.052522 ESP Fit Center 5404 is at -0.599785 -3.112165 -3.052522 ESP Fit Center 5405 is at -0.183029 -3.112165 -3.052522 ESP Fit Center 5406 is at -1.212255 -1.930395 -3.229323 ESP Fit Center 5407 is at -1.102282 -2.340820 -3.229323 ESP Fit Center 5408 is at -0.801831 -2.641271 -3.229323 ESP Fit Center 5409 is at -0.391407 -2.751244 -3.229323 ESP Fit Center 5410 is at 0.019017 -2.641271 -3.229323 ESP Fit Center 5411 is at 0.025349 -1.930395 -3.337599 ESP Fit Center 5412 is at -0.183029 -1.569475 -3.337599 ESP Fit Center 5413 is at -0.808163 -1.930395 -3.337599 ESP Fit Center 5414 is at -0.599785 -2.291316 -3.337599 ESP Fit Center 5415 is at -0.183029 -2.291316 -3.337599 ESP Fit Center 5416 is at -0.391407 -1.930395 -3.374061 ESP Fit Center 5417 is at 0.025520 -2.582298 3.040790 ESP Fit Center 5418 is at 0.442276 -2.582298 3.040790 ESP Fit Center 5419 is at -0.176526 -2.932252 2.932513 ESP Fit Center 5420 is at 0.233898 -3.042225 2.932513 ESP Fit Center 5421 is at 0.644322 -2.932252 2.932513 ESP Fit Center 5422 is at 0.944774 -2.631801 2.932513 ESP Fit Center 5423 is at -0.366102 -3.260607 2.755712 ESP Fit Center 5424 is at 0.025520 -3.403146 2.755712 ESP Fit Center 5425 is at 0.442276 -3.403146 2.755712 ESP Fit Center 5426 is at 0.833898 -3.260607 2.755712 ESP Fit Center 5427 is at 1.153152 -2.992722 2.755712 ESP Fit Center 5428 is at 1.361529 -2.631801 2.755712 ESP Fit Center 5429 is at -0.962784 -3.194950 2.515758 ESP Fit Center 5430 is at -0.655741 -3.481708 2.515758 ESP Fit Center 5431 is at -0.282717 -3.674993 2.515758 ESP Fit Center 5432 is at 0.128621 -3.760471 2.515758 ESP Fit Center 5433 is at 0.547768 -3.731800 2.515758 ESP Fit Center 5434 is at 0.943636 -3.591109 2.515758 ESP Fit Center 5435 is at 1.286866 -3.348830 2.515758 ESP Fit Center 5436 is at 1.552003 -3.022934 2.515758 ESP Fit Center 5437 is at 1.719381 -2.637590 2.515758 ESP Fit Center 5438 is at -1.027762 -3.558658 2.219941 ESP Fit Center 5439 is at -0.685355 -3.813570 2.219941 ESP Fit Center 5440 is at -0.293391 -3.982647 2.219941 ESP Fit Center 5441 is at 0.126999 -4.056773 2.219941 ESP Fit Center 5442 is at 0.553152 -4.031952 2.219941 ESP Fit Center 5443 is at 0.962094 -3.909523 2.219941 ESP Fit Center 5444 is at 1.331778 -3.696086 2.219941 ESP Fit Center 5445 is at 1.642276 -3.403146 2.219941 ESP Fit Center 5446 is at 1.876848 -3.046497 2.219941 ESP Fit Center 5447 is at 2.022848 -2.645365 2.219941 ESP Fit Center 5448 is at -1.343151 -3.575229 1.877251 ESP Fit Center 5449 is at -1.038340 -3.864973 1.877251 ESP Fit Center 5450 is at -0.681444 -4.087428 1.877251 ESP Fit Center 5451 is at -0.287073 -4.233487 1.877251 ESP Fit Center 5452 is at 0.128626 -4.297170 1.877251 ESP Fit Center 5453 is at 0.548635 -4.275870 1.877251 ESP Fit Center 5454 is at 0.955759 -4.170458 1.877251 ESP Fit Center 5455 is at 1.333329 -3.985251 1.877251 ESP Fit Center 5456 is at 1.665889 -3.727830 1.877251 ESP Fit Center 5457 is at 1.939823 -3.408735 1.877251 ESP Fit Center 5458 is at -1.538858 -3.615487 1.498099 ESP Fit Center 5459 is at -1.242984 -3.925790 1.498099 ESP Fit Center 5460 is at -0.893733 -4.174491 1.498099 ESP Fit Center 5461 is at -0.503726 -4.352601 1.498099 ESP Fit Center 5462 is at -0.087059 -4.453684 1.498099 ESP Fit Center 5463 is at 0.341208 -4.474085 1.498099 ESP Fit Center 5464 is at 0.765597 -4.413067 1.498099 ESP Fit Center 5465 is at 1.170768 -4.272835 1.498099 ESP Fit Center 5466 is at 1.542079 -4.058459 1.498099 ESP Fit Center 5467 is at 1.866108 -3.777686 1.498099 ESP Fit Center 5468 is at -1.399455 -3.929730 1.094007 ESP Fit Center 5469 is at -1.068168 -4.193923 1.094007 ESP Fit Center 5470 is at -0.695032 -4.394716 1.094007 ESP Fit Center 5471 is at -0.292039 -4.525656 1.094007 ESP Fit Center 5472 is at 0.127859 -4.582535 1.094007 ESP Fit Center 5473 is at 0.551164 -4.563525 1.094007 ESP Fit Center 5474 is at 0.964272 -4.469235 1.094007 ESP Fit Center 5475 is at 1.353905 -4.302698 1.094007 ESP Fit Center 5476 is at -1.308792 -4.059883 0.677251 ESP Fit Center 5477 is at -0.966102 -4.299838 0.677251 ESP Fit Center 5478 is at -0.586950 -4.476639 0.677251 ESP Fit Center 5479 is at -0.182857 -4.584915 0.677251 ESP Fit Center 5480 is at 0.233898 -4.621377 0.677251 ESP Fit Center 5481 is at 0.650654 -4.584915 0.677251 ESP Fit Center 5482 is at 1.054747 -4.476639 0.677251 ESP Fit Center 5483 is at -1.068168 -4.193923 0.260495 ESP Fit Center 5484 is at -0.695032 -4.394716 0.260495 ESP Fit Center 5485 is at -0.292039 -4.525656 0.260495 ESP Fit Center 5486 is at 0.127859 -4.582535 0.260495 ESP Fit Center 5487 is at 0.551164 -4.563525 0.260495 ESP Fit Center 5488 is at 4.216174 -0.706669 -2.094726 ESP Fit Center 5489 is at 4.103446 -0.298208 -2.094726 ESP Fit Center 5490 is at 4.145881 -1.128696 -2.498819 ESP Fit Center 5491 is at 4.105125 -0.701884 -2.498819 ESP Fit Center 5492 is at 3.984332 -0.290499 -2.498819 ESP Fit Center 5493 is at 3.787866 0.090591 -2.498819 ESP Fit Center 5494 is at 3.522829 0.427614 -2.498819 ESP Fit Center 5495 is at 3.198799 0.708387 -2.498819 ESP Fit Center 5496 is at 3.969080 -1.128696 -2.877970 ESP Fit Center 5497 is at 3.926533 -0.710304 -2.877970 ESP Fit Center 5498 is at 3.800637 -0.309042 -2.877970 ESP Fit Center 5499 is at 3.596543 0.058663 -2.877970 ESP Fit Center 5500 is at 3.322610 0.377758 -2.877970 ESP Fit Center 5501 is at 2.990050 0.635178 -2.877970 ESP Fit Center 5502 is at 3.926533 -1.547087 -2.877970 ESP Fit Center 5503 is at 3.729125 -1.128696 -3.220661 ESP Fit Center 5504 is at 3.679568 -0.704707 -3.220661 ESP Fit Center 5505 is at 3.533568 -0.303575 -3.220661 ESP Fit Center 5506 is at 3.298996 0.053074 -3.220661 ESP Fit Center 5507 is at 2.988499 0.346013 -3.220661 ESP Fit Center 5508 is at 2.618814 0.559451 -3.220661 ESP Fit Center 5509 is at 3.533568 -1.953816 -3.220661 ESP Fit Center 5510 is at 3.679568 -1.552684 -3.220661 ESP Fit Center 5511 is at 3.433309 -1.128696 -3.516477 ESP Fit Center 5512 is at 3.376102 -0.712483 -3.516477 ESP Fit Center 5513 is at 3.208723 -0.327138 -3.516477 ESP Fit Center 5514 is at 2.943587 -0.001242 -3.516477 ESP Fit Center 5515 is at 2.600357 0.241036 -3.516477 ESP Fit Center 5516 is at 2.204488 0.381728 -3.516477 ESP Fit Center 5517 is at 0.362297 -1.338758 -3.516477 ESP Fit Center 5518 is at 2.943587 -2.256149 -3.516477 ESP Fit Center 5519 is at 3.208723 -1.930253 -3.516477 ESP Fit Center 5520 is at 3.376102 -1.544908 -3.516477 ESP Fit Center 5521 is at 3.090619 -1.128696 -3.756431 ESP Fit Center 5522 is at 3.018250 -0.718271 -3.756431 ESP Fit Center 5523 is at 2.809872 -0.357350 -3.756431 ESP Fit Center 5524 is at 2.490619 -0.089465 -3.756431 ESP Fit Center 5525 is at 2.098996 0.053074 -3.756431 ESP Fit Center 5526 is at 1.682241 0.053074 -3.756431 ESP Fit Center 5527 is at 1.290619 -0.089465 -3.756431 ESP Fit Center 5528 is at 0.971365 -0.357350 -3.756431 ESP Fit Center 5529 is at 0.762988 -0.718271 -3.756431 ESP Fit Center 5530 is at 0.690619 -1.128696 -3.756431 ESP Fit Center 5531 is at 0.762988 -1.539120 -3.756431 ESP Fit Center 5532 is at 0.971365 -1.900041 -3.756431 ESP Fit Center 5533 is at 1.290619 -2.167926 -3.756431 ESP Fit Center 5534 is at 1.682241 -2.310465 -3.756431 ESP Fit Center 5535 is at 2.098996 -2.310465 -3.756431 ESP Fit Center 5536 is at 2.490619 -2.167926 -3.756431 ESP Fit Center 5537 is at 2.809872 -1.900041 -3.756431 ESP Fit Center 5538 is at 3.018250 -1.539120 -3.756431 ESP Fit Center 5539 is at 2.711467 -1.128696 -3.933233 ESP Fit Center 5540 is at 2.601494 -0.718271 -3.933233 ESP Fit Center 5541 is at 2.301043 -0.417820 -3.933233 ESP Fit Center 5542 is at 1.890619 -0.307847 -3.933233 ESP Fit Center 5543 is at 1.480195 -0.417820 -3.933233 ESP Fit Center 5544 is at 1.179743 -0.718271 -3.933233 ESP Fit Center 5545 is at 1.069770 -1.128696 -3.933233 ESP Fit Center 5546 is at 1.179743 -1.539120 -3.933233 ESP Fit Center 5547 is at 1.480195 -1.839571 -3.933233 ESP Fit Center 5548 is at 1.890619 -1.949544 -3.933233 ESP Fit Center 5549 is at 2.301043 -1.839571 -3.933233 ESP Fit Center 5550 is at 2.601494 -1.539120 -3.933233 ESP Fit Center 5551 is at 2.307374 -1.128696 -4.041509 ESP Fit Center 5552 is at 2.098996 -0.767775 -4.041509 ESP Fit Center 5553 is at 1.682241 -0.767775 -4.041509 ESP Fit Center 5554 is at 1.473863 -1.128696 -4.041509 ESP Fit Center 5555 is at 1.682241 -1.489616 -4.041509 ESP Fit Center 5556 is at 2.098996 -1.489616 -4.041509 ESP Fit Center 5557 is at 1.890619 -1.128696 -4.077970 ESP Fit Center 5558 is at 1.701367 -4.358119 0.745031 ESP Fit Center 5559 is at 2.120514 -4.329449 0.745031 ESP Fit Center 5560 is at 1.279354 -4.580295 0.449214 ESP Fit Center 5561 is at 1.699744 -4.654421 0.449214 ESP Fit Center 5562 is at 2.125897 -4.629601 0.449214 ESP Fit Center 5563 is at 2.534839 -4.507172 0.449214 ESP Fit Center 5564 is at 2.904524 -4.293734 0.449214 ESP Fit Center 5565 is at 0.891302 -4.685077 0.106524 ESP Fit Center 5566 is at 1.285672 -4.831136 0.106524 ESP Fit Center 5567 is at 1.701372 -4.894819 0.106524 ESP Fit Center 5568 is at 2.121381 -4.873518 0.106524 ESP Fit Center 5569 is at 2.528504 -4.768106 0.106524 ESP Fit Center 5570 is at 2.906075 -4.582899 0.106524 ESP Fit Center 5571 is at 3.238635 -4.325479 0.106524 ESP Fit Center 5572 is at 3.512569 -4.006384 0.106524 ESP Fit Center 5573 is at 0.679013 -4.772140 -0.272627 ESP Fit Center 5574 is at 1.069020 -4.950250 -0.272627 ESP Fit Center 5575 is at 1.485687 -5.051332 -0.272627 ESP Fit Center 5576 is at 1.913954 -5.071733 -0.272627 ESP Fit Center 5577 is at 2.338342 -5.010715 -0.272627 ESP Fit Center 5578 is at 2.743514 -4.870484 -0.272627 ESP Fit Center 5579 is at 3.114824 -4.656108 -0.272627 ESP Fit Center 5580 is at 3.438854 -4.375334 -0.272627 ESP Fit Center 5581 is at 3.703891 -4.038312 -0.272627 ESP Fit Center 5582 is at 0.173291 -4.527379 -0.676720 ESP Fit Center 5583 is at 0.504578 -4.791571 -0.676720 ESP Fit Center 5584 is at 0.877714 -4.992365 -0.676720 ESP Fit Center 5585 is at 1.280707 -5.123305 -0.676720 ESP Fit Center 5586 is at 1.700604 -5.180184 -0.676720 ESP Fit Center 5587 is at 2.123909 -5.161173 -0.676720 ESP Fit Center 5588 is at 2.537018 -5.066884 -0.676720 ESP Fit Center 5589 is at 2.926651 -4.900347 -0.676720 ESP Fit Center 5590 is at 3.280286 -4.666914 -0.676720 ESP Fit Center 5591 is at 3.586557 -4.374089 -0.676720 ESP Fit Center 5592 is at 3.835621 -4.031283 -0.676720 ESP Fit Center 5593 is at 0.263954 -4.657532 -1.093476 ESP Fit Center 5594 is at 0.606644 -4.897486 -1.093476 ESP Fit Center 5595 is at 0.985796 -5.074288 -1.093476 ESP Fit Center 5596 is at 1.389888 -5.182564 -1.093476 ESP Fit Center 5597 is at 1.806644 -5.219025 -1.093476 ESP Fit Center 5598 is at 2.223400 -5.182564 -1.093476 ESP Fit Center 5599 is at 2.627492 -5.074288 -1.093476 ESP Fit Center 5600 is at 3.006644 -4.897486 -1.093476 ESP Fit Center 5601 is at 3.349334 -4.657532 -1.093476 ESP Fit Center 5602 is at 3.645151 -4.361716 -1.093476 ESP Fit Center 5603 is at 3.885105 -4.019025 -1.093476 ESP Fit Center 5604 is at 4.061906 -3.639874 -1.093476 ESP Fit Center 5605 is at 0.173291 -4.527379 -1.510231 ESP Fit Center 5606 is at 0.504578 -4.791571 -1.510231 ESP Fit Center 5607 is at 0.877714 -4.992365 -1.510231 ESP Fit Center 5608 is at 1.280707 -5.123305 -1.510231 ESP Fit Center 5609 is at 1.700604 -5.180184 -1.510231 ESP Fit Center 5610 is at 2.123909 -5.161173 -1.510231 ESP Fit Center 5611 is at 2.537018 -5.066884 -1.510231 ESP Fit Center 5612 is at 2.926651 -4.900347 -1.510231 ESP Fit Center 5613 is at 3.280286 -4.666914 -1.510231 ESP Fit Center 5614 is at 3.586557 -4.374089 -1.510231 ESP Fit Center 5615 is at 3.835621 -4.031283 -1.510231 ESP Fit Center 5616 is at 4.019471 -3.649513 -1.510231 ESP Fit Center 5617 is at 0.033888 -4.213136 -1.914324 ESP Fit Center 5618 is at 0.329761 -4.523439 -1.914324 ESP Fit Center 5619 is at 0.679013 -4.772140 -1.914324 ESP Fit Center 5620 is at 1.069020 -4.950250 -1.914324 ESP Fit Center 5621 is at 1.485687 -5.051332 -1.914324 ESP Fit Center 5622 is at 1.913954 -5.071733 -1.914324 ESP Fit Center 5623 is at 2.338342 -5.010715 -1.914324 ESP Fit Center 5624 is at 2.743514 -4.870484 -1.914324 ESP Fit Center 5625 is at 3.114824 -4.656108 -1.914324 ESP Fit Center 5626 is at 3.438854 -4.375334 -1.914324 ESP Fit Center 5627 is at 3.703891 -4.038312 -1.914324 ESP Fit Center 5628 is at 3.900357 -3.657222 -1.914324 ESP Fit Center 5629 is at 0.229595 -4.172878 -2.293476 ESP Fit Center 5630 is at 0.534406 -4.462622 -2.293476 ESP Fit Center 5631 is at 0.891302 -4.685077 -2.293476 ESP Fit Center 5632 is at 1.285672 -4.831136 -2.293476 ESP Fit Center 5633 is at 1.701372 -4.894819 -2.293476 ESP Fit Center 5634 is at 2.121381 -4.873518 -2.293476 ESP Fit Center 5635 is at 2.528504 -4.768106 -2.293476 ESP Fit Center 5636 is at 2.906075 -4.582899 -2.293476 ESP Fit Center 5637 is at 3.238635 -4.325479 -2.293476 ESP Fit Center 5638 is at 3.512569 -4.006384 -2.293476 ESP Fit Center 5639 is at 3.716662 -3.638679 -2.293476 ESP Fit Center 5640 is at 3.842559 -3.237416 -2.293476 ESP Fit Center 5641 is at 0.270594 -3.829301 -2.636166 ESP Fit Center 5642 is at 0.544984 -4.156307 -2.636166 ESP Fit Center 5643 is at 0.887391 -4.411219 -2.636166 ESP Fit Center 5644 is at 1.279354 -4.580295 -2.636166 ESP Fit Center 5645 is at 1.699744 -4.654421 -2.636166 ESP Fit Center 5646 is at 2.125897 -4.629601 -2.636166 ESP Fit Center 5647 is at 2.534839 -4.507172 -2.636166 ESP Fit Center 5648 is at 2.904524 -4.293734 -2.636166 ESP Fit Center 5649 is at 3.215022 -4.000795 -2.636166 ESP Fit Center 5650 is at 3.449594 -3.644146 -2.636166 ESP Fit Center 5651 is at 3.595593 -3.243014 -2.636166 ESP Fit Center 5652 is at 0.391671 -3.433635 -2.931982 ESP Fit Center 5653 is at 0.609962 -3.792598 -2.931982 ESP Fit Center 5654 is at 0.917005 -4.079357 -2.931982 ESP Fit Center 5655 is at 1.290028 -4.272642 -2.931982 ESP Fit Center 5656 is at 1.701367 -4.358119 -2.931982 ESP Fit Center 5657 is at 2.120514 -4.329449 -2.931982 ESP Fit Center 5658 is at 2.516382 -4.188757 -2.931982 ESP Fit Center 5659 is at 2.859612 -3.946479 -2.931982 ESP Fit Center 5660 is at 3.124748 -3.620582 -2.931982 ESP Fit Center 5661 is at 3.292127 -3.235238 -2.931982 ESP Fit Center 5662 is at 0.887391 -3.590370 -3.171937 ESP Fit Center 5663 is at 1.206644 -3.858256 -3.171937 ESP Fit Center 5664 is at 1.598266 -4.000795 -3.171937 ESP Fit Center 5665 is at 2.015022 -4.000795 -3.171937 ESP Fit Center 5666 is at 2.406644 -3.858256 -3.171937 ESP Fit Center 5667 is at 2.725897 -3.590370 -3.171937 ESP Fit Center 5668 is at 2.934275 -3.229449 -3.171937 ESP Fit Center 5669 is at 1.095768 -3.229449 -3.348738 ESP Fit Center 5670 is at 1.396220 -3.529901 -3.348738 ESP Fit Center 5671 is at 1.806644 -3.639874 -3.348738 ESP Fit Center 5672 is at 2.217068 -3.529901 -3.348738 ESP Fit Center 5673 is at 2.517520 -3.229449 -3.348738 ESP Fit Center 5674 is at 1.598266 -3.179946 -3.457014 ESP Fit Center 5675 is at 2.015022 -3.179946 -3.457014 ESP Fit Center 5676 is at 3.306988 -1.602968 2.245297 ESP Fit Center 5677 is at 2.486140 -2.423816 2.245297 ESP Fit Center 5678 is at 2.896564 -2.313843 2.245297 ESP Fit Center 5679 is at 3.197015 -2.013392 2.245297 ESP Fit Center 5680 is at 3.686140 -1.602968 2.068496 ESP Fit Center 5681 is at 3.613771 -1.192544 2.068496 ESP Fit Center 5682 is at 2.277762 -2.784737 2.068496 ESP Fit Center 5683 is at 2.694517 -2.784737 2.068496 ESP Fit Center 5684 is at 3.086140 -2.642198 2.068496 ESP Fit Center 5685 is at 3.405393 -2.374313 2.068496 ESP Fit Center 5686 is at 3.613771 -2.013392 2.068496 ESP Fit Center 5687 is at 4.028830 -1.602968 1.828542 ESP Fit Center 5688 is at 3.971623 -1.186755 1.828542 ESP Fit Center 5689 is at 2.380863 -3.142062 1.828542 ESP Fit Center 5690 is at 2.800009 -3.113391 1.828542 ESP Fit Center 5691 is at 3.195877 -2.972700 1.828542 ESP Fit Center 5692 is at 3.539108 -2.730421 1.828542 ESP Fit Center 5693 is at 3.804244 -2.404525 1.828542 ESP Fit Center 5694 is at 3.971623 -2.019181 1.828542 ESP Fit Center 5695 is at 4.324646 -1.602968 1.532725 ESP Fit Center 5696 is at 4.275089 -1.178979 1.532725 ESP Fit Center 5697 is at 2.805393 -3.413543 1.532725 ESP Fit Center 5698 is at 3.214335 -3.291114 1.532725 ESP Fit Center 5699 is at 3.584020 -3.077677 1.532725 ESP Fit Center 5700 is at 3.894517 -2.784737 1.532725 ESP Fit Center 5701 is at 4.129089 -2.428088 1.532725 ESP Fit Center 5702 is at 4.275089 -2.026957 1.532725 ESP Fit Center 5703 is at 4.564600 -1.602968 1.190035 ESP Fit Center 5704 is at 4.522054 -1.184577 1.190035 ESP Fit Center 5705 is at 3.208000 -3.552049 1.190035 ESP Fit Center 5706 is at 3.585571 -3.366842 1.190035 ESP Fit Center 5707 is at 3.918130 -3.109421 1.190035 ESP Fit Center 5708 is at 4.192064 -2.790327 1.190035 ESP Fit Center 5709 is at 4.396157 -2.422621 1.190035 ESP Fit Center 5710 is at 4.522054 -2.021359 1.190035 ESP Fit Center 5711 is at 4.741402 -1.602968 0.810884 ESP Fit Center 5712 is at 4.700646 -1.176157 0.810884 ESP Fit Center 5713 is at 3.423009 -3.654427 0.810884 ESP Fit Center 5714 is at 3.794320 -3.440050 0.810884 ESP Fit Center 5715 is at 4.118350 -3.159277 0.810884 ESP Fit Center 5716 is at 4.383387 -2.822255 0.810884 ESP Fit Center 5717 is at 4.579853 -2.441164 0.810884 ESP Fit Center 5718 is at 4.700646 -2.029779 0.810884 ESP Fit Center 5719 is at 4.849678 -1.602968 0.406791 ESP Fit Center 5720 is at 4.811695 -1.180942 0.406791 ESP Fit Center 5721 is at 3.959782 -3.450857 0.406791 ESP Fit Center 5722 is at 4.266053 -3.158031 0.406791 ESP Fit Center 5723 is at 4.515116 -2.815225 0.406791 ESP Fit Center 5724 is at 4.698967 -2.433456 0.406791 ESP Fit Center 5725 is at 4.811695 -2.024994 0.406791 ESP Fit Center 5726 is at 4.886140 -1.602968 -0.009965 ESP Fit Center 5727 is at 4.849678 -1.186212 -0.009965 ESP Fit Center 5728 is at 4.324646 -3.145658 -0.009965 ESP Fit Center 5729 is at 4.564600 -2.802968 -0.009965 ESP Fit Center 5730 is at 4.741402 -2.423816 -0.009965 ESP Fit Center 5731 is at 4.849678 -2.019724 -0.009965 ESP Fit Center 5732 is at 4.849678 -1.602968 -0.426720 ESP Fit Center 5733 is at 4.811695 -1.180942 -0.426720 ESP Fit Center 5734 is at 4.515116 -2.815225 -0.426720 ESP Fit Center 5735 is at 4.698967 -2.433456 -0.426720 ESP Fit Center 5736 is at 4.811695 -2.024994 -0.426720 ESP Fit Center 5737 is at 4.741402 -1.602968 -0.830813 ESP Fit Center 5738 is at 4.700646 -1.176157 -0.830813 ESP Fit Center 5739 is at 4.700646 -2.029779 -0.830813 ESP Fit Center 5740 is at 1.114230 0.828859 4.111723 ESP Fit Center 5741 is at 0.705730 0.828859 4.111723 ESP Fit Center 5742 is at 0.501480 0.475088 4.111723 ESP Fit Center 5743 is at 1.610933 0.879783 4.028417 ESP Fit Center 5744 is at 1.314675 1.176040 4.028417 ESP Fit Center 5745 is at 0.100590 0.475088 4.028417 ESP Fit Center 5746 is at 2.033104 0.883871 3.891299 ESP Fit Center 5747 is at 1.825559 1.243350 3.891299 ESP Fit Center 5748 is at 1.507582 1.510164 3.891299 ESP Fit Center 5749 is at -0.285223 0.475088 3.891299 ESP Fit Center 5750 is at -0.213143 0.066304 3.891299 ESP Fit Center 5751 is at 2.410929 0.895634 3.702924 ESP Fit Center 5752 is at 1.973911 1.614280 3.702924 ESP Fit Center 5753 is at 3.763644 -0.370314 2.596684 ESP Fit Center 5754 is at 1.865542 3.573748 2.279065 ESP Fit Center 5755 is at 1.459169 3.486168 2.279065 ESP Fit Center 5756 is at 3.796105 -0.697140 2.279065 ESP Fit Center 5757 is at 4.083747 -0.397021 2.279065 ESP Fit Center 5758 is at 2.176851 3.806345 1.929220 ESP Fit Center 5759 is at 1.760164 3.773551 1.929220 ESP Fit Center 5760 is at 1.353737 3.675977 1.929220 ESP Fit Center 5761 is at 4.060340 -0.740799 1.929220 ESP Fit Center 5762 is at 4.331794 -0.422968 1.929220 ESP Fit Center 5763 is at 4.550186 -0.066585 1.929220 ESP Fit Center 5764 is at 2.486020 3.952514 1.553663 ESP Fit Center 5765 is at 2.073612 3.967587 1.553663 ESP Fit Center 5766 is at 1.663403 3.922451 1.553663 ESP Fit Center 5767 is at 1.264139 3.818069 1.553663 ESP Fit Center 5768 is at 4.282161 -0.743676 1.553663 ESP Fit Center 5769 is at 4.534382 -0.417038 1.553663 ESP Fit Center 5770 is at 4.736357 -0.057157 1.553663 ESP Fit Center 5771 is at 4.883780 0.328296 1.553663 ESP Fit Center 5772 is at 3.084512 3.936183 1.159392 ESP Fit Center 5773 is at 2.686900 4.035318 1.159392 ESP Fit Center 5774 is at 2.279360 4.078153 1.159392 ESP Fit Center 5775 is at 1.869825 4.063851 1.159392 ESP Fit Center 5776 is at 4.860165 -0.051998 1.159392 ESP Fit Center 5777 is at 5.000319 0.333073 1.159392 ESP Fit Center 5778 is at 5.085518 0.733903 1.159392 ESP Fit Center 5779 is at 5.169858 1.142690 0.753752 ESP Fit Center 5780 is at 5.140730 1.559236 0.753752 ESP Fit Center 5781 is at 3.850519 3.624004 0.753752 ESP Fit Center 5782 is at 3.488899 3.832786 0.753752 ESP Fit Center 5783 is at 3.101741 3.989208 0.753752 ESP Fit Center 5784 is at 5.140730 0.726144 0.753752 ESP Fit Center 5785 is at 5.169858 1.142690 0.344297 ESP Fit Center 5786 is at 5.140730 1.559236 0.344297 ESP Fit Center 5787 is at 5.053914 1.967674 0.344297 ESP Fit Center 5788 is at 4.911099 2.360055 0.344297 ESP Fit Center 5789 is at 4.715065 2.728741 0.344297 ESP Fit Center 5790 is at 4.469627 3.066557 0.344297 ESP Fit Center 5791 is at 4.179563 3.366927 0.344297 ESP Fit Center 5792 is at 3.850519 3.624004 0.344297 ESP Fit Center 5793 is at 3.488899 3.832786 0.344297 ESP Fit Center 5794 is at 5.085518 1.551476 -0.061344 ESP Fit Center 5795 is at 5.000319 1.952306 -0.061344 ESP Fit Center 5796 is at 4.860165 2.337378 -0.061344 ESP Fit Center 5797 is at 4.667783 2.699196 -0.061344 ESP Fit Center 5798 is at 4.426917 3.030719 -0.061344 ESP Fit Center 5799 is at 4.142257 3.325493 -0.061344 ESP Fit Center 5800 is at 3.819342 3.577782 -0.061344 ESP Fit Center 5801 is at 4.973510 1.554273 -0.455614 ESP Fit Center 5802 is at 4.883780 1.957083 -0.455614 ESP Fit Center 5803 is at 4.736357 2.342537 -0.455614 ESP Fit Center 5804 is at 4.534382 2.702417 -0.455614 ESP Fit Center 5805 is at 4.282161 3.029055 -0.455614 ESP Fit Center 5806 is at 3.985068 3.315488 -0.455614 ESP Fit Center 5807 is at 4.710138 1.965805 -0.831171 ESP Fit Center 5808 is at 4.550186 2.351964 -0.831171 ESP Fit Center 5809 is at 4.331794 2.708347 -0.831171 ESP Fit Center 5810 is at 4.060340 3.026179 -0.831171 ESP Fit Center 5811 is at 4.487759 1.959185 -1.181017 ESP Fit Center 5812 is at 4.316530 2.337986 -1.181017 ESP Fit Center 5813 is at 4.083747 2.682400 -1.181017 ESP Fit Center 5814 is at 4.212305 1.957563 -1.498635 ESP Fit Center 5815 is at 4.021306 2.328049 -1.498635 ESP Fit Center 5816 is at 3.763644 2.655693 -1.498635 ESP Fit Center 5817 is at 3.895131 1.937651 -1.778109 ESP Fit Center 5818 is at 3.684066 2.288444 -1.778109 ESP Fit Center 5819 is at 3.677800 1.563236 -2.014234 ESP Fit Center 5820 is at 3.508679 1.952592 -2.014234 ESP Fit Center 5821 is at 3.299975 1.551473 -2.202609 ESP Fit Center 5822 is at 3.092430 1.910952 -2.202609 ESP Fit Center 5823 is at 2.986242 1.142690 -2.339727 ESP Fit Center 5824 is at 2.877804 1.547385 -2.339727 ESP Fit Center 5825 is at 1.223166 -0.285284 4.290560 ESP Fit Center 5826 is at 1.639922 -0.285284 4.254099 ESP Fit Center 5827 is at 1.431544 0.075636 4.254099 ESP Fit Center 5828 is at 1.014788 0.075636 4.254099 ESP Fit Center 5829 is at 0.806410 -0.285284 4.254099 ESP Fit Center 5830 is at 1.014788 -0.646205 4.254099 ESP Fit Center 5831 is at 1.431544 -0.646205 4.254099 ESP Fit Center 5832 is at 2.044014 -0.285284 4.145823 ESP Fit Center 5833 is at 1.934042 0.125140 4.145823 ESP Fit Center 5834 is at 1.633590 0.425591 4.145823 ESP Fit Center 5835 is at 1.223166 0.535564 4.145823 ESP Fit Center 5836 is at 0.812742 0.425591 4.145823 ESP Fit Center 5837 is at 0.512291 0.125140 4.145823 ESP Fit Center 5838 is at 0.402318 -0.285284 4.145823 ESP Fit Center 5839 is at 0.512291 -0.695709 4.145823 ESP Fit Center 5840 is at 0.812742 -0.996160 4.145823 ESP Fit Center 5841 is at 1.223166 -1.106133 4.145823 ESP Fit Center 5842 is at 1.633590 -0.996160 4.145823 ESP Fit Center 5843 is at 1.934042 -0.695709 4.145823 ESP Fit Center 5844 is at 2.423166 -0.285284 3.969021 ESP Fit Center 5845 is at 2.350797 0.125140 3.969021 ESP Fit Center 5846 is at 2.142419 0.486061 3.969021 ESP Fit Center 5847 is at 0.023166 -0.285284 3.969021 ESP Fit Center 5848 is at 0.095535 -0.695709 3.969021 ESP Fit Center 5849 is at 0.303913 -1.056630 3.969021 ESP Fit Center 5850 is at 0.623166 -1.324515 3.969021 ESP Fit Center 5851 is at 1.014788 -1.467054 3.969021 ESP Fit Center 5852 is at 1.431544 -1.467054 3.969021 ESP Fit Center 5853 is at 1.823166 -1.324515 3.969021 ESP Fit Center 5854 is at 2.142419 -1.056630 3.969021 ESP Fit Center 5855 is at 2.350797 -0.695709 3.969021 ESP Fit Center 5856 is at 2.765856 -0.285284 3.729067 ESP Fit Center 5857 is at 2.708649 0.130928 3.729067 ESP Fit Center 5858 is at 2.541271 0.516273 3.729067 ESP Fit Center 5859 is at 0.333527 -1.545616 3.729067 ESP Fit Center 5860 is at 0.706551 -1.738901 3.729067 ESP Fit Center 5861 is at 1.117889 -1.824378 3.729067 ESP Fit Center 5862 is at 1.537036 -1.795708 3.729067 ESP Fit Center 5863 is at 1.932904 -1.655016 3.729067 ESP Fit Center 5864 is at 2.276134 -1.412738 3.729067 ESP Fit Center 5865 is at 2.541271 -1.086842 3.729067 ESP Fit Center 5866 is at 2.708649 -0.701497 3.729067 ESP Fit Center 5867 is at 3.061673 -0.285284 3.433251 ESP Fit Center 5868 is at 3.012116 0.138704 3.433251 ESP Fit Center 5869 is at 0.303913 -1.877478 3.433251 ESP Fit Center 5870 is at 0.695876 -2.046555 3.433251 ESP Fit Center 5871 is at 1.116266 -2.120681 3.433251 ESP Fit Center 5872 is at 1.542419 -2.095860 3.433251 ESP Fit Center 5873 is at 1.951361 -1.973431 3.433251 ESP Fit Center 5874 is at 2.321046 -1.759993 3.433251 ESP Fit Center 5875 is at 2.631544 -1.467054 3.433251 ESP Fit Center 5876 is at 2.866116 -1.110405 3.433251 ESP Fit Center 5877 is at 3.012116 -0.709273 3.433251 ESP Fit Center 5878 is at 3.301627 -0.285284 3.090560 ESP Fit Center 5879 is at 0.702195 -2.297395 3.090560 ESP Fit Center 5880 is at 1.117894 -2.361078 3.090560 ESP Fit Center 5881 is at 1.537903 -2.339777 3.090560 ESP Fit Center 5882 is at 1.945027 -2.234366 3.090560 ESP Fit Center 5883 is at 2.322597 -2.049158 3.090560 ESP Fit Center 5884 is at 2.655157 -1.791738 3.090560 ESP Fit Center 5885 is at 2.929091 -1.472643 3.090560 ESP Fit Center 5886 is at 3.133184 -1.104938 3.090560 ESP Fit Center 5887 is at 3.259081 -0.703676 3.090560 ESP Fit Center 5888 is at 1.754864 -2.476974 2.711409 ESP Fit Center 5889 is at 2.160036 -2.336743 2.711409 ESP Fit Center 5890 is at 2.531347 -2.122367 2.711409 ESP Fit Center 5891 is at 2.855376 -1.841594 2.711409 ESP Fit Center 5892 is at 3.120413 -1.504571 2.711409 ESP Fit Center 5893 is at 3.316879 -1.123481 2.711409 ESP Fit Center 5894 is at 3.437673 -0.712096 2.711409 ESP Fit Center 5895 is at 2.343173 -2.366606 2.307316 ESP Fit Center 5896 is at 3.252143 -1.497542 2.307316 ESP Fit Center 5897 is at 3.435993 -1.115772 2.307316 ESP Fit Center 5898 is at 0.431421 1.298091 4.118364 ESP Fit Center 5899 is at 0.848176 1.298091 4.081902 ESP Fit Center 5900 is at 0.639799 1.659012 4.081902 ESP Fit Center 5901 is at 0.223043 1.659012 4.081902 ESP Fit Center 5902 is at 0.014665 1.298091 4.081902 ESP Fit Center 5903 is at 0.223043 0.937170 4.081902 ESP Fit Center 5904 is at 1.142296 1.708515 3.973626 ESP Fit Center 5905 is at 0.841845 2.008966 3.973626 ESP Fit Center 5906 is at 0.431421 2.118939 3.973626 ESP Fit Center 5907 is at 0.020997 2.008966 3.973626 ESP Fit Center 5908 is at -0.279455 1.708515 3.973626 ESP Fit Center 5909 is at -0.389428 1.298091 3.973626 ESP Fit Center 5910 is at -0.279455 0.887666 3.973626 ESP Fit Center 5911 is at 1.559052 1.708515 3.796825 ESP Fit Center 5912 is at 1.350674 2.069436 3.796825 ESP Fit Center 5913 is at 1.031421 2.337321 3.796825 ESP Fit Center 5914 is at 0.639799 2.479860 3.796825 ESP Fit Center 5915 is at 0.223043 2.479860 3.796825 ESP Fit Center 5916 is at -0.168579 2.337321 3.796825 ESP Fit Center 5917 is at -0.487833 2.069436 3.796825 ESP Fit Center 5918 is at -0.696210 1.708515 3.796825 ESP Fit Center 5919 is at -0.768579 1.298091 3.796825 ESP Fit Center 5920 is at -0.696210 0.887666 3.796825 ESP Fit Center 5921 is at -0.487833 0.526745 3.796825 ESP Fit Center 5922 is at 1.749525 2.099648 3.556870 ESP Fit Center 5923 is at 1.484389 2.425544 3.556870 ESP Fit Center 5924 is at 1.141159 2.667822 3.556870 ESP Fit Center 5925 is at 0.745290 2.808514 3.556870 ESP Fit Center 5926 is at 0.326144 2.837184 3.556870 ESP Fit Center 5927 is at -0.085195 2.751707 3.556870 ESP Fit Center 5928 is at -0.458218 2.558422 3.556870 ESP Fit Center 5929 is at -0.765261 2.271664 3.556870 ESP Fit Center 5930 is at -0.983552 1.912700 3.556870 ESP Fit Center 5931 is at -1.096901 1.508154 3.556870 ESP Fit Center 5932 is at 1.529301 2.772799 3.261054 ESP Fit Center 5933 is at 1.159616 2.986237 3.261054 ESP Fit Center 5934 is at 0.750674 3.108666 3.261054 ESP Fit Center 5935 is at 0.324521 3.133487 3.261054 ESP Fit Center 5936 is at -0.095869 3.059361 3.261054 ESP Fit Center 5937 is at -0.487833 2.890284 3.261054 ESP Fit Center 5938 is at -0.830239 2.635372 3.261054 ESP Fit Center 5939 is at -1.104629 2.308366 3.261054 ESP Fit Center 5940 is at 1.530852 3.061965 2.918364 ESP Fit Center 5941 is at 1.153281 3.247172 2.918364 ESP Fit Center 5942 is at 0.746158 3.352583 2.918364 ESP Fit Center 5943 is at 0.326148 3.373884 2.918364 ESP Fit Center 5944 is at -0.089551 3.310201 2.918364 ESP Fit Center 5945 is at -0.483921 3.164142 2.918364 ESP Fit Center 5946 is at -0.840818 2.941687 2.918364 ESP Fit Center 5947 is at -1.145628 2.651943 2.918364 ESP Fit Center 5948 is at 1.368291 3.349549 2.539212 ESP Fit Center 5949 is at 0.963119 3.489781 2.539212 ESP Fit Center 5950 is at 0.538730 3.550798 2.539212 ESP Fit Center 5951 is at 0.110464 3.530398 2.539212 ESP Fit Center 5952 is at -0.306203 3.429315 2.539212 ESP Fit Center 5953 is at -0.696210 3.251205 2.539212 ESP Fit Center 5954 is at -1.045462 3.002504 2.539212 ESP Fit Center 5955 is at 1.161794 3.545949 2.135119 ESP Fit Center 5956 is at 0.748686 3.640239 2.135119 ESP Fit Center 5957 is at 0.325381 3.659249 2.135119 ESP Fit Center 5958 is at -0.094516 3.602370 2.135119 ESP Fit Center 5959 is at -0.497509 3.471430 2.135119 ESP Fit Center 5960 is at -0.870645 3.270637 2.135119 ESP Fit Center 5961 is at -1.201932 3.006444 2.135119 ESP Fit Center 5962 is at 4.531644 -0.709469 1.161090 ESP Fit Center 5963 is at 4.735738 -0.341763 1.161090 ESP Fit Center 5964 is at 4.722967 -0.741397 0.781938 ESP Fit Center 5965 is at 4.919433 -0.360306 0.781938 ESP Fit Center 5966 is at 5.040226 0.051079 0.781938 ESP Fit Center 5967 is at 5.189258 0.477890 0.377845 ESP Fit Center 5968 is at 4.854696 -0.734367 0.377845 ESP Fit Center 5969 is at 5.038547 -0.352598 0.377845 ESP Fit Center 5970 is at 5.151275 0.055864 0.377845 ESP Fit Center 5971 is at 5.225720 0.477890 -0.038910 ESP Fit Center 5972 is at 5.189258 0.894646 -0.038910 ESP Fit Center 5973 is at 4.904181 -0.722110 -0.038910 ESP Fit Center 5974 is at 5.080982 -0.342958 -0.038910 ESP Fit Center 5975 is at 5.189258 0.061134 -0.038910 ESP Fit Center 5976 is at 5.189258 0.477890 -0.455666 ESP Fit Center 5977 is at 5.151275 0.899916 -0.455666 ESP Fit Center 5978 is at 5.038547 1.308378 -0.455666 ESP Fit Center 5979 is at 4.854696 -0.734367 -0.455666 ESP Fit Center 5980 is at 5.038547 -0.352598 -0.455666 ESP Fit Center 5981 is at 5.151275 0.055864 -0.455666 ESP Fit Center 5982 is at 5.080982 0.477890 -0.859758 ESP Fit Center 5983 is at 5.040226 0.904701 -0.859758 ESP Fit Center 5984 is at 4.919433 1.316086 -0.859758 ESP Fit Center 5985 is at 4.722967 -0.741397 -0.859758 ESP Fit Center 5986 is at 4.919433 -0.360306 -0.859758 ESP Fit Center 5987 is at 5.040226 0.051079 -0.859758 ESP Fit Center 5988 is at 4.904181 0.477890 -1.238910 ESP Fit Center 5989 is at 4.861634 0.896281 -1.238910 ESP Fit Center 5990 is at 4.735738 1.297543 -1.238910 ESP Fit Center 5991 is at 4.531644 1.665249 -1.238910 ESP Fit Center 5992 is at 4.531644 -0.709469 -1.238910 ESP Fit Center 5993 is at 4.735738 -0.341763 -1.238910 ESP Fit Center 5994 is at 4.861634 0.059499 -1.238910 ESP Fit Center 5995 is at 4.664226 0.477890 -1.581600 ESP Fit Center 5996 is at 4.614669 0.901879 -1.581600 ESP Fit Center 5997 is at 4.468669 1.303010 -1.581600 ESP Fit Center 5998 is at 4.234097 1.659659 -1.581600 ESP Fit Center 5999 is at 4.468669 -0.347230 -1.581600 ESP Fit Center 6000 is at 4.614669 0.053901 -1.581600 ESP Fit Center 6001 is at 4.368410 0.477890 -1.877417 ESP Fit Center 6002 is at 4.311203 0.894103 -1.877417 ESP Fit Center 6003 is at 4.143824 1.279447 -1.877417 ESP Fit Center 6004 is at 4.143824 -0.323667 -1.877417 ESP Fit Center 6005 is at 4.311203 0.061677 -1.877417 ESP Fit Center 6006 is at 4.025720 0.477890 -2.117371 ESP Fit Center 6007 is at 3.953351 0.888314 -2.117371 ESP Fit Center 6008 is at 3.744973 1.249235 -2.117371 ESP Fit Center 6009 is at 3.953351 0.067466 -2.117371 ESP Fit Center 6010 is at 3.646568 0.477890 -2.294172 ESP Fit Center 6011 is at 3.536595 0.888314 -2.294172 ESP Fit Center 6012 is at 3.236144 1.188766 -2.294172 ESP Fit Center 6013 is at 2.792362 1.531544 3.787671 ESP Fit Center 6014 is at 3.209118 1.531544 3.751210 ESP Fit Center 6015 is at 3.000740 1.892465 3.751210 ESP Fit Center 6016 is at 2.583984 1.892465 3.751210 ESP Fit Center 6017 is at 2.375606 1.531544 3.751210 ESP Fit Center 6018 is at 2.583984 1.170623 3.751210 ESP Fit Center 6019 is at 3.000740 1.170623 3.751210 ESP Fit Center 6020 is at 3.613210 1.531544 3.642933 ESP Fit Center 6021 is at 3.503237 1.941969 3.642933 ESP Fit Center 6022 is at 3.202786 2.242420 3.642933 ESP Fit Center 6023 is at 2.792362 2.352393 3.642933 ESP Fit Center 6024 is at 2.381938 2.242420 3.642933 ESP Fit Center 6025 is at 2.081486 1.941969 3.642933 ESP Fit Center 6026 is at 2.792362 0.710696 3.642933 ESP Fit Center 6027 is at 3.202786 0.820669 3.642933 ESP Fit Center 6028 is at 3.503237 1.121120 3.642933 ESP Fit Center 6029 is at 3.992362 1.531544 3.466132 ESP Fit Center 6030 is at 3.919993 1.941969 3.466132 ESP Fit Center 6031 is at 3.711615 2.302890 3.466132 ESP Fit Center 6032 is at 3.392362 2.570775 3.466132 ESP Fit Center 6033 is at 3.000740 2.713314 3.466132 ESP Fit Center 6034 is at 2.583984 2.713314 3.466132 ESP Fit Center 6035 is at 2.192362 2.570775 3.466132 ESP Fit Center 6036 is at 1.873109 2.302890 3.466132 ESP Fit Center 6037 is at 3.000740 0.349775 3.466132 ESP Fit Center 6038 is at 3.392362 0.492314 3.466132 ESP Fit Center 6039 is at 3.711615 0.760199 3.466132 ESP Fit Center 6040 is at 3.919993 1.121120 3.466132 ESP Fit Center 6041 is at 4.335052 1.531544 3.226178 ESP Fit Center 6042 is at 4.277845 1.947757 3.226178 ESP Fit Center 6043 is at 4.110466 2.333101 3.226178 ESP Fit Center 6044 is at 3.845330 2.658998 3.226178 ESP Fit Center 6045 is at 3.502100 2.901276 3.226178 ESP Fit Center 6046 is at 3.106232 3.041968 3.226178 ESP Fit Center 6047 is at 2.687085 3.070638 3.226178 ESP Fit Center 6048 is at 2.275746 2.985161 3.226178 ESP Fit Center 6049 is at 1.902723 2.791876 3.226178 ESP Fit Center 6050 is at 3.502100 0.161813 3.226178 ESP Fit Center 6051 is at 3.845330 0.404091 3.226178 ESP Fit Center 6052 is at 4.110466 0.729987 3.226178 ESP Fit Center 6053 is at 4.277845 1.115332 3.226178 ESP Fit Center 6054 is at 4.630869 1.531544 2.930361 ESP Fit Center 6055 is at 4.581311 1.955533 2.930361 ESP Fit Center 6056 is at 4.435311 2.356665 2.930361 ESP Fit Center 6057 is at 4.200740 2.713314 2.930361 ESP Fit Center 6058 is at 3.890242 3.006253 2.930361 ESP Fit Center 6059 is at 3.520557 3.219691 2.930361 ESP Fit Center 6060 is at 3.111615 3.342120 2.930361 ESP Fit Center 6061 is at 2.685462 3.366941 2.930361 ESP Fit Center 6062 is at 2.265072 3.292814 2.930361 ESP Fit Center 6063 is at 1.873109 3.123738 2.930361 ESP Fit Center 6064 is at 3.520557 -0.156602 2.930361 ESP Fit Center 6065 is at 3.890242 0.056836 2.930361 ESP Fit Center 6066 is at 4.200740 0.349775 2.930361 ESP Fit Center 6067 is at 4.435311 0.706424 2.930361 ESP Fit Center 6068 is at 4.581311 1.107556 2.930361 ESP Fit Center 6069 is at 4.870823 1.531544 2.587671 ESP Fit Center 6070 is at 4.828277 1.949936 2.587671 ESP Fit Center 6071 is at 4.702380 2.351198 2.587671 ESP Fit Center 6072 is at 4.498287 2.718903 2.587671 ESP Fit Center 6073 is at 4.224353 3.037998 2.587671 ESP Fit Center 6074 is at 3.891793 3.295418 2.587671 ESP Fit Center 6075 is at 3.514222 3.480626 2.587671 ESP Fit Center 6076 is at 3.107099 3.586037 2.587671 ESP Fit Center 6077 is at 2.687090 3.607338 2.587671 ESP Fit Center 6078 is at 2.271390 3.543655 2.587671 ESP Fit Center 6079 is at 1.877020 3.397596 2.587671 ESP Fit Center 6080 is at 4.224353 0.025091 2.587671 ESP Fit Center 6081 is at 4.498287 0.344186 2.587671 ESP Fit Center 6082 is at 4.702380 0.711891 2.587671 ESP Fit Center 6083 is at 4.828277 1.113153 2.587671 ESP Fit Center 6084 is at 5.047624 1.531544 2.208519 ESP Fit Center 6085 is at 5.006869 1.958356 2.208519 ESP Fit Center 6086 is at 4.886075 2.369741 2.208519 ESP Fit Center 6087 is at 4.689609 2.750831 2.208519 ESP Fit Center 6088 is at 4.424572 3.087854 2.208519 ESP Fit Center 6089 is at 4.100542 3.368627 2.208519 ESP Fit Center 6090 is at 3.729232 3.583003 2.208519 ESP Fit Center 6091 is at 3.324060 3.723234 2.208519 ESP Fit Center 6092 is at 2.899672 3.784252 2.208519 ESP Fit Center 6093 is at 2.471405 3.763851 2.208519 ESP Fit Center 6094 is at 2.054738 3.662769 2.208519 ESP Fit Center 6095 is at 4.424572 -0.024765 2.208519 ESP Fit Center 6096 is at 4.689609 0.312258 2.208519 ESP Fit Center 6097 is at 4.886075 0.693348 2.208519 ESP Fit Center 6098 is at 5.006869 1.104733 2.208519 ESP Fit Center 6099 is at 5.155901 1.531544 1.804427 ESP Fit Center 6100 is at 5.117917 1.953571 1.804427 ESP Fit Center 6101 is at 5.005189 2.362032 1.804427 ESP Fit Center 6102 is at 4.821339 2.743802 1.804427 ESP Fit Center 6103 is at 4.572275 3.086608 1.804427 ESP Fit Center 6104 is at 4.266004 3.379433 1.804427 ESP Fit Center 6105 is at 3.912369 3.612866 1.804427 ESP Fit Center 6106 is at 3.522736 3.779403 1.804427 ESP Fit Center 6107 is at 3.109627 3.873692 1.804427 ESP Fit Center 6108 is at 2.686322 3.892703 1.804427 ESP Fit Center 6109 is at 4.821339 0.319287 1.804427 ESP Fit Center 6110 is at 5.005189 0.701056 1.804427 ESP Fit Center 6111 is at 5.117917 1.109518 1.804427 ESP Fit Center 6112 is at 5.192362 1.531544 1.387671 ESP Fit Center 6113 is at 5.155901 1.948300 1.387671 ESP Fit Center 6114 is at 5.047624 2.352393 1.387671 ESP Fit Center 6115 is at 4.870823 2.731544 1.387671 ESP Fit Center 6116 is at 4.630869 3.074235 1.387671 ESP Fit Center 6117 is at 4.335052 3.370051 1.387671 ESP Fit Center 6118 is at 3.992362 3.610005 1.387671 ESP Fit Center 6119 is at 3.613210 3.786807 1.387671 ESP Fit Center 6120 is at 3.209118 3.895083 1.387671 ESP Fit Center 6121 is at 5.047624 0.710696 1.387671 ESP Fit Center 6122 is at 5.155901 1.114789 1.387671 ESP Fit Center 6123 is at 5.155901 1.531544 0.970915 ESP Fit Center 6124 is at 5.117917 1.953571 0.970915 ESP Fit Center 6125 is at 5.005189 2.362032 0.970915 ESP Fit Center 6126 is at 4.821339 2.743802 0.970915 ESP Fit Center 6127 is at 4.572275 3.086608 0.970915 ESP Fit Center 6128 is at 4.266004 3.379433 0.970915 ESP Fit Center 6129 is at 3.912369 3.612866 0.970915 ESP Fit Center 6130 is at 1.824374 4.089335 1.112213 ESP Fit Center 6131 is at 1.408675 4.025653 1.112213 ESP Fit Center 6132 is at 2.866516 4.065001 0.733061 ESP Fit Center 6133 is at 2.461344 4.205232 0.733061 ESP Fit Center 6134 is at 2.036956 4.266250 0.733061 ESP Fit Center 6135 is at 1.608689 4.245849 0.733061 ESP Fit Center 6136 is at 3.049653 4.094864 0.328968 ESP Fit Center 6137 is at 2.660020 4.261401 0.328968 ESP Fit Center 6138 is at 2.246912 4.355690 0.328968 ESP Fit Center 6139 is at 1.823606 4.374701 0.328968 ESP Fit Center 6140 is at 3.472336 3.852049 -0.087787 ESP Fit Center 6141 is at 3.129646 4.092003 -0.087787 ESP Fit Center 6142 is at 2.750495 4.268804 -0.087787 ESP Fit Center 6143 is at 2.346402 4.377081 -0.087787 ESP Fit Center 6144 is at 1.929646 4.413542 -0.087787 ESP Fit Center 6145 is at 1.512891 4.377081 -0.087787 ESP Fit Center 6146 is at 3.709560 3.568606 -0.504543 ESP Fit Center 6147 is at 3.403288 3.861431 -0.504543 ESP Fit Center 6148 is at 3.049653 4.094864 -0.504543 ESP Fit Center 6149 is at 2.660020 4.261401 -0.504543 ESP Fit Center 6150 is at 2.246912 4.355690 -0.504543 ESP Fit Center 6151 is at 1.823606 4.374701 -0.504543 ESP Fit Center 6152 is at 3.826894 3.232829 -0.908636 ESP Fit Center 6153 is at 3.561856 3.569851 -0.908636 ESP Fit Center 6154 is at 3.237827 3.850625 -0.908636 ESP Fit Center 6155 is at 2.866516 4.065001 -0.908636 ESP Fit Center 6156 is at 2.461344 4.205232 -0.908636 ESP Fit Center 6157 is at 2.036956 4.266250 -0.908636 ESP Fit Center 6158 is at 1.608689 4.245849 -0.908636 ESP Fit Center 6159 is at 3.635571 3.200901 -1.287787 ESP Fit Center 6160 is at 3.361637 3.519996 -1.287787 ESP Fit Center 6161 is at 3.029077 3.777416 -1.287787 ESP Fit Center 6162 is at 2.651507 3.962623 -1.287787 ESP Fit Center 6163 is at 2.244383 4.068035 -1.287787 ESP Fit Center 6164 is at 1.824374 4.089335 -1.287787 ESP Fit Center 6165 is at 3.572596 2.838662 -1.630477 ESP Fit Center 6166 is at 3.338024 3.195311 -1.630477 ESP Fit Center 6167 is at 3.027526 3.488251 -1.630477 ESP Fit Center 6168 is at 2.657841 3.701689 -1.630477 ESP Fit Center 6169 is at 2.248900 3.824118 -1.630477 ESP Fit Center 6170 is at 1.822747 3.848938 -1.630477 ESP Fit Center 6171 is at 3.415129 2.429755 -1.926294 ESP Fit Center 6172 is at 3.247751 2.815099 -1.926294 ESP Fit Center 6173 is at 2.982614 3.140996 -1.926294 ESP Fit Center 6174 is at 2.639384 3.383274 -1.926294 ESP Fit Center 6175 is at 2.243516 3.523966 -1.926294 ESP Fit Center 6176 is at 1.824369 3.552636 -1.926294 ESP Fit Center 6177 is at 3.129646 2.013542 -2.166248 ESP Fit Center 6178 is at 3.057277 2.423966 -2.166248 ESP Fit Center 6179 is at 2.848900 2.784887 -2.166248 ESP Fit Center 6180 is at 2.529646 3.052773 -2.166248 ESP Fit Center 6181 is at 2.138024 3.195311 -2.166248 ESP Fit Center 6182 is at 1.721268 3.195311 -2.166248 ESP Fit Center 6183 is at 2.750495 2.013542 -2.343049 ESP Fit Center 6184 is at 2.640522 2.423966 -2.343049 ESP Fit Center 6185 is at 2.340070 2.724418 -2.343049 ESP Fit Center 6186 is at 1.929646 2.834390 -2.343049 Entering OneElI... OneElI was handed 33448926 working-precision words. Calculate electrostatic properties NBasis = 175 MinDer = 0 MaxDer = 0 NGrid = 6186 NMatD = 1 Requested accuracy = 0.1000D-05 PrsmSu: NPrtUS= 8 ThrOK=T IAlg=1 PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs PRISM was handed 4020814 working-precision words and 2074 shell-pairs IPart= 7 NShTot= 1497012 NBatch= 242 AvBLen= 6186.0 IPart= 6 NShTot= 1515570 NBatch= 245 AvBLen= 6186.0 IPart= 5 NShTot= 1552686 NBatch= 251 AvBLen= 6186.0 IPart= 4 NShTot= 1602174 NBatch= 259 AvBLen= 6186.0 IPart= 3 NShTot= 1639290 NBatch= 265 AvBLen= 6186.0 IPart= 2 NShTot= 1651662 NBatch= 267 AvBLen= 6186.0 IPart= 1 NShTot= 1664034 NBatch= 269 AvBLen= 6186.0 IPart= 0 NShTot= 1707336 NBatch= 276 AvBLen= 6186.0 6157 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00138 RRMS= 0.01150: Charge= 1.00000 Dipole= -0.2762 -0.4145 0.5088 Tot= 0.7120 1 1 C -0.370701 2 C 0.184220 3 H 0.124799 4 H 0.136553 5 H 0.130928 6 N -0.205648 7 H 0.092881 8 H 0.081830 9 C -0.077986 10 C -0.236428 11 H 0.135849 12 H 0.118632 13 H 0.096512 14 H 0.131518 15 H 0.075113 16 C -0.040813 17 C -0.412584 18 H 0.149414 19 H 0.161440 20 H 0.135178 21 H 0.155355 22 H 0.154227 23 C -0.054887 24 C -0.153174 25 H 0.135401 26 H 0.111431 27 H 0.071547 28 H 0.099104 29 H 0.070286 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.570080 2 Atom -14.506172 3 Atom -0.964338 4 Atom -0.959525 5 Atom -0.962450 6 Atom -18.035879 7 Atom -0.934011 8 Atom -0.932915 9 Atom -14.506877 10 Atom -14.571867 11 Atom -0.935992 12 Atom -0.933494 13 Atom -0.964490 14 Atom -0.961208 15 Atom -0.965900 16 Atom -14.506896 17 Atom -14.573145 18 Atom -0.935027 19 Atom -0.932738 20 Atom -0.963474 21 Atom -0.962330 22 Atom -0.967955 23 Atom -14.503230 24 Atom -14.574355 25 Atom -0.930201 26 Atom -0.933937 27 Atom -0.969311 28 Atom -0.962936 29 Atom -0.967436 30 Fit 0.136306 31 Fit 0.119660 32 Fit 0.120833 33 Fit 0.117375 34 Fit 0.117240 35 Fit 0.119002 36 Fit 0.117545 37 Fit 0.116355 38 Fit 0.116028 39 Fit 0.116660 40 Fit 0.145021 41 Fit 0.120730 42 Fit 0.117146 43 Fit 0.149966 44 Fit 0.139269 45 Fit 0.131519 46 Fit 0.120560 47 Fit 0.146155 48 Fit 0.129472 49 Fit 0.136671 50 Fit 0.146758 51 Fit 0.137259 52 Fit 0.147799 53 Fit 0.161178 54 Fit 0.151184 55 Fit 0.151772 56 Fit 0.150000 57 Fit 0.151732 58 Fit 0.147359 59 Fit 0.136310 60 Fit 0.135461 61 Fit 0.139561 62 Fit 0.148943 63 Fit 0.129961 64 Fit 0.127423 65 Fit 0.128152 66 Fit 0.131511 67 Fit 0.137415 68 Fit 0.146263 69 Fit 0.122463 70 Fit 0.122289 71 Fit 0.124100 72 Fit 0.127607 73 Fit 0.132761 74 Fit 0.139675 75 Fit 0.148696 76 Fit 0.119172 77 Fit 0.118840 78 Fit 0.120180 79 Fit 0.122891 80 Fit 0.126866 81 Fit 0.132137 82 Fit 0.138845 83 Fit 0.118397 84 Fit 0.116954 85 Fit 0.117418 86 Fit 0.119328 87 Fit 0.122473 88 Fit 0.126837 89 Fit 0.132591 90 Fit 0.140375 91 Fit 0.118003 92 Fit 0.116488 93 Fit 0.117088 94 Fit 0.119265 95 Fit 0.122824 96 Fit 0.127857 97 Fit 0.134900 98 Fit 0.117762 99 Fit 0.117793 100 Fit 0.120051 101 Fit 0.124193 102 Fit 0.130438 103 Fit 0.139803 104 Fit 0.120515 105 Fit 0.120820 106 Fit 0.124368 107 Fit 0.130763 108 Fit 0.140407 109 Fit 0.129182 110 Fit 0.137756 111 Fit 0.119946 112 Fit 0.117075 113 Fit 0.115508 114 Fit 0.114991 115 Fit 0.115415 116 Fit 0.116882 117 Fit 0.127241 118 Fit 0.121619 119 Fit 0.117775 120 Fit 0.115248 121 Fit 0.113724 122 Fit 0.113007 123 Fit 0.113003 124 Fit 0.113718 125 Fit 0.115281 126 Fit 0.117979 127 Fit 0.122242 128 Fit 0.140569 129 Fit 0.131248 130 Fit 0.124525 131 Fit 0.119760 132 Fit 0.116483 133 Fit 0.114330 134 Fit 0.113052 135 Fit 0.112497 136 Fit 0.112607 137 Fit 0.113412 138 Fit 0.115035 139 Fit 0.117705 140 Fit 0.121759 141 Fit 0.127665 142 Fit 0.135605 143 Fit 0.127857 144 Fit 0.122181 145 Fit 0.118197 146 Fit 0.115542 147 Fit 0.113928 148 Fit 0.113169 149 Fit 0.113184 150 Fit 0.114002 151 Fit 0.115760 152 Fit 0.118714 153 Fit 0.123248 154 Fit 0.129837 155 Fit 0.138916 156 Fit 0.145683 157 Fit 0.131516 158 Fit 0.125131 159 Fit 0.120402 160 Fit 0.117219 161 Fit 0.115334 162 Fit 0.114551 163 Fit 0.114799 164 Fit 0.116154 165 Fit 0.118838 166 Fit 0.123176 167 Fit 0.129427 168 Fit 0.137351 169 Fit 0.145411 170 Fit 0.150385 171 Fit 0.150396 172 Fit 0.146158 173 Fit 0.139088 174 Fit 0.128296 175 Fit 0.122923 176 Fit 0.119136 177 Fit 0.117114 178 Fit 0.116771 179 Fit 0.118138 180 Fit 0.121402 181 Fit 0.126595 182 Fit 0.132787 183 Fit 0.137378 184 Fit 0.137803 185 Fit 0.134069 186 Fit 0.125815 187 Fit 0.121177 188 Fit 0.119785 189 Fit 0.122457 190 Fit 0.127620 191 Fit 0.129640 192 Fit 0.123910 193 Fit 0.147806 194 Fit 0.144379 195 Fit 0.153085 196 Fit 0.148191 197 Fit 0.139428 198 Fit 0.134909 199 Fit 0.134494 200 Fit 0.138718 201 Fit 0.148501 202 Fit 0.163891 203 Fit 0.147333 204 Fit 0.138593 205 Fit 0.132466 206 Fit 0.128652 207 Fit 0.127115 208 Fit 0.128058 209 Fit 0.132019 210 Fit 0.139963 211 Fit 0.138162 212 Fit 0.131487 213 Fit 0.126739 214 Fit 0.123673 215 Fit 0.122234 216 Fit 0.122544 217 Fit 0.124955 218 Fit 0.138805 219 Fit 0.131021 220 Fit 0.125713 221 Fit 0.122056 222 Fit 0.119798 223 Fit 0.118910 224 Fit 0.119535 225 Fit 0.122036 226 Fit 0.129927 227 Fit 0.124283 228 Fit 0.120507 229 Fit 0.118188 230 Fit 0.117252 231 Fit 0.117834 232 Fit 0.136145 233 Fit 0.127696 234 Fit 0.122367 235 Fit 0.119035 236 Fit 0.117371 237 Fit 0.117416 238 Fit 0.131832 239 Fit 0.124901 240 Fit 0.120805 241 Fit 0.119104 242 Fit 0.129240 243 Fit 0.149762 244 Fit 0.153003 245 Fit 0.149617 246 Fit 0.146241 247 Fit 0.145024 248 Fit 0.145196 249 Fit 0.145864 250 Fit 0.147098 251 Fit 0.146514 252 Fit 0.143436 253 Fit 0.142110 254 Fit 0.142059 255 Fit 0.143147 256 Fit 0.146142 257 Fit 0.152282 258 Fit 0.143837 259 Fit 0.141301 260 Fit 0.140388 261 Fit 0.141031 262 Fit 0.143619 263 Fit 0.148933 264 Fit 0.156114 265 Fit 0.155415 266 Fit 0.148183 267 Fit 0.141938 268 Fit 0.140162 269 Fit 0.140317 270 Fit 0.142728 271 Fit 0.147117 272 Fit 0.150633 273 Fit 0.148628 274 Fit 0.147486 275 Fit 0.144972 276 Fit 0.141287 277 Fit 0.140829 278 Fit 0.143625 279 Fit 0.146315 280 Fit 0.145506 281 Fit 0.143576 282 Fit 0.142452 283 Fit 0.149355 284 Fit 0.150872 285 Fit 0.151881 286 Fit 0.155733 287 Fit 0.145501 288 Fit 0.144525 289 Fit 0.144877 290 Fit 0.145365 291 Fit 0.145729 292 Fit 0.146874 293 Fit 0.149475 294 Fit 0.153068 295 Fit 0.156233 296 Fit 0.157591 297 Fit 0.157871 298 Fit 0.158967 299 Fit 0.152332 300 Fit 0.147821 301 Fit 0.143730 302 Fit 0.141702 303 Fit 0.141268 304 Fit 0.141602 305 Fit 0.142442 306 Fit 0.144015 307 Fit 0.146179 308 Fit 0.148124 309 Fit 0.149222 310 Fit 0.149966 311 Fit 0.151367 312 Fit 0.146220 313 Fit 0.147203 314 Fit 0.146688 315 Fit 0.144551 316 Fit 0.141732 317 Fit 0.139895 318 Fit 0.139504 319 Fit 0.140129 320 Fit 0.141454 321 Fit 0.142964 322 Fit 0.144064 323 Fit 0.144973 324 Fit 0.141948 325 Fit 0.141806 326 Fit 0.140009 327 Fit 0.138993 328 Fit 0.139751 329 Fit 0.141015 330 Fit 0.139740 331 Fit 0.153831 332 Fit 0.147793 333 Fit 0.147756 334 Fit 0.149117 335 Fit 0.150317 336 Fit 0.133465 337 Fit 0.141950 338 Fit 0.125786 339 Fit 0.130884 340 Fit 0.141291 341 Fit 0.132849 342 Fit 0.118968 343 Fit 0.134164 344 Fit 0.127370 345 Fit 0.116971 346 Fit 0.115263 347 Fit 0.115887 348 Fit 0.117159 349 Fit 0.115549 350 Fit 0.114820 351 Fit 0.115043 352 Fit 0.116253 353 Fit 0.116040 354 Fit 0.117897 355 Fit 0.118847 356 Fit 0.130472 357 Fit 0.160750 358 Fit 0.143697 359 Fit 0.148496 360 Fit 0.144674 361 Fit 0.140728 362 Fit 0.141092 363 Fit 0.145895 364 Fit 0.149553 365 Fit 0.156596 366 Fit 0.153964 367 Fit 0.148229 368 Fit 0.142728 369 Fit 0.139344 370 Fit 0.138414 371 Fit 0.140157 372 Fit 0.144745 373 Fit 0.152394 374 Fit 0.145363 375 Fit 0.140921 376 Fit 0.138474 377 Fit 0.137802 378 Fit 0.139092 379 Fit 0.142726 380 Fit 0.154791 381 Fit 0.147229 382 Fit 0.142618 383 Fit 0.139851 384 Fit 0.138466 385 Fit 0.138498 386 Fit 0.140365 387 Fit 0.144733 388 Fit 0.154402 389 Fit 0.148011 390 Fit 0.144178 391 Fit 0.141782 392 Fit 0.140350 393 Fit 0.139962 394 Fit 0.141094 395 Fit 0.144682 396 Fit 0.158603 397 Fit 0.151807 398 Fit 0.148331 399 Fit 0.146182 400 Fit 0.144417 401 Fit 0.143188 402 Fit 0.143112 403 Fit 0.145157 404 Fit 0.148128 405 Fit 0.147699 406 Fit 0.139000 407 Fit 0.142599 408 Fit 0.141643 409 Fit 0.139046 410 Fit 0.137246 411 Fit 0.137593 412 Fit 0.140290 413 Fit 0.148425 414 Fit 0.148063 415 Fit 0.145903 416 Fit 0.143245 417 Fit 0.140848 418 Fit 0.138831 419 Fit 0.137268 420 Fit 0.136542 421 Fit 0.137202 422 Fit 0.139429 423 Fit 0.142776 424 Fit 0.146259 425 Fit 0.157465 426 Fit 0.157242 427 Fit 0.154796 428 Fit 0.152037 429 Fit 0.149249 430 Fit 0.146905 431 Fit 0.144660 432 Fit 0.142371 433 Fit 0.140231 434 Fit 0.138386 435 Fit 0.137254 436 Fit 0.137365 437 Fit 0.138947 438 Fit 0.141894 439 Fit 0.145835 440 Fit 0.150225 441 Fit 0.154496 442 Fit 0.145179 443 Fit 0.142280 444 Fit 0.139852 445 Fit 0.138701 446 Fit 0.139174 447 Fit 0.141238 448 Fit 0.144758 449 Fit 0.149443 450 Fit 0.154726 451 Fit 0.160213 452 Fit 0.143052 453 Fit 0.141256 454 Fit 0.141644 455 Fit 0.143854 456 Fit 0.147814 457 Fit 0.153528 458 Fit 0.160473 459 Fit 0.173471 460 Fit 0.145014 461 Fit 0.146103 462 Fit 0.149410 463 Fit 0.155286 464 Fit 0.154661 465 Fit 0.138366 466 Fit 0.135217 467 Fit 0.127419 468 Fit 0.122574 469 Fit 0.120308 470 Fit 0.136359 471 Fit 0.128165 472 Fit 0.122568 473 Fit 0.118939 474 Fit 0.117058 475 Fit 0.116867 476 Fit 0.140927 477 Fit 0.131983 478 Fit 0.125457 479 Fit 0.120771 480 Fit 0.117673 481 Fit 0.116049 482 Fit 0.115879 483 Fit 0.117213 484 Fit 0.139517 485 Fit 0.131591 486 Fit 0.125425 487 Fit 0.120954 488 Fit 0.118085 489 Fit 0.116769 490 Fit 0.117025 491 Fit 0.118937 492 Fit 0.146824 493 Fit 0.137369 494 Fit 0.129973 495 Fit 0.124505 496 Fit 0.120970 497 Fit 0.119366 498 Fit 0.119750 499 Fit 0.122274 500 Fit 0.127244 501 Fit 0.135024 502 Fit 0.145860 503 Fit 0.142898 504 Fit 0.133772 505 Fit 0.127493 506 Fit 0.124128 507 Fit 0.123845 508 Fit 0.126921 509 Fit 0.133742 510 Fit 0.144609 511 Fit 0.146944 512 Fit 0.136044 513 Fit 0.130162 514 Fit 0.132052 515 Fit 0.141751 516 Fit 0.138816 517 Fit 0.131906 518 Fit 0.142060 519 Fit 0.138805 520 Fit 0.130078 521 Fit 0.125184 522 Fit 0.126415 523 Fit 0.134017 524 Fit 0.147767 525 Fit 0.136986 526 Fit 0.128541 527 Fit 0.123203 528 Fit 0.120518 529 Fit 0.120096 530 Fit 0.122057 531 Fit 0.127093 532 Fit 0.136146 533 Fit 0.142920 534 Fit 0.132264 535 Fit 0.125161 536 Fit 0.120652 537 Fit 0.117982 538 Fit 0.116692 539 Fit 0.116619 540 Fit 0.117886 541 Fit 0.120918 542 Fit 0.126497 543 Fit 0.135804 544 Fit 0.146161 545 Fit 0.133883 546 Fit 0.125965 547 Fit 0.120807 548 Fit 0.117485 549 Fit 0.115426 550 Fit 0.114309 551 Fit 0.114005 552 Fit 0.114556 553 Fit 0.116174 554 Fit 0.119277 555 Fit 0.124563 556 Fit 0.144101 557 Fit 0.132450 558 Fit 0.124875 559 Fit 0.119866 560 Fit 0.116553 561 Fit 0.114392 562 Fit 0.113062 563 Fit 0.112396 564 Fit 0.112355 565 Fit 0.113017 566 Fit 0.114586 567 Fit 0.117443 568 Fit 0.122239 569 Fit 0.134960 570 Fit 0.126270 571 Fit 0.120521 572 Fit 0.116708 573 Fit 0.114193 574 Fit 0.112587 575 Fit 0.111671 576 Fit 0.111356 577 Fit 0.111667 578 Fit 0.112746 579 Fit 0.114916 580 Fit 0.118846 581 Fit 0.123993 582 Fit 0.118722 583 Fit 0.115308 584 Fit 0.113140 585 Fit 0.111872 586 Fit 0.111337 587 Fit 0.111516 588 Fit 0.112545 589 Fit 0.114814 590 Fit 0.119360 591 Fit 0.115607 592 Fit 0.113493 593 Fit 0.112566 594 Fit 0.112699 595 Fit 0.114053 596 Fit 0.116713 597 Fit 0.115592 598 Fit 0.129711 599 Fit 0.135191 600 Fit 0.145302 601 Fit 0.123005 602 Fit 0.126503 603 Fit 0.132844 604 Fit 0.141917 605 Fit 0.153976 606 Fit 0.118556 607 Fit 0.120454 608 Fit 0.124508 609 Fit 0.130457 610 Fit 0.138410 611 Fit 0.148690 612 Fit 0.116315 613 Fit 0.116533 614 Fit 0.118776 615 Fit 0.122575 616 Fit 0.127834 617 Fit 0.134665 618 Fit 0.143268 619 Fit 0.153991 620 Fit 0.115670 621 Fit 0.115107 622 Fit 0.116527 623 Fit 0.119442 624 Fit 0.123685 625 Fit 0.129303 626 Fit 0.136495 627 Fit 0.145545 628 Fit 0.116147 629 Fit 0.115156 630 Fit 0.116213 631 Fit 0.118847 632 Fit 0.122877 633 Fit 0.128358 634 Fit 0.135567 635 Fit 0.145117 636 Fit 0.117816 637 Fit 0.116444 638 Fit 0.117430 639 Fit 0.120285 640 Fit 0.124851 641 Fit 0.131298 642 Fit 0.140264 643 Fit 0.119632 644 Fit 0.119200 645 Fit 0.121428 646 Fit 0.125997 647 Fit 0.133074 648 Fit 0.143601 649 Fit 0.124432 650 Fit 0.123297 651 Fit 0.126258 652 Fit 0.132938 653 Fit 0.143696 654 Fit 0.150404 655 Fit 0.129990 656 Fit 0.131296 657 Fit 0.140725 658 Fit 0.138295 659 Fit 0.149807 660 Fit 0.150090 661 Fit 0.146213 662 Fit 0.138146 663 Fit 0.117301 664 Fit 0.117134 665 Fit 0.118727 666 Fit 0.122487 667 Fit 0.128151 668 Fit 0.115577 669 Fit 0.116365 670 Fit 0.117496 671 Fit 0.121314 672 Fit 0.115331 673 Fit 0.115444 674 Fit 0.118005 675 Fit 0.115797 676 Fit 0.115631 677 Fit 0.116685 678 Fit 0.146012 679 Fit 0.138686 680 Fit 0.134036 681 Fit 0.127759 682 Fit 0.120821 683 Fit 0.151883 684 Fit 0.147004 685 Fit 0.145584 686 Fit 0.147878 687 Fit 0.146075 688 Fit 0.142727 689 Fit 0.142298 690 Fit 0.144562 691 Fit 0.149881 692 Fit 0.144220 693 Fit 0.141143 694 Fit 0.140134 695 Fit 0.141272 696 Fit 0.144837 697 Fit 0.155310 698 Fit 0.150185 699 Fit 0.146041 700 Fit 0.142414 701 Fit 0.139990 702 Fit 0.139257 703 Fit 0.140469 704 Fit 0.143830 705 Fit 0.154021 706 Fit 0.147715 707 Fit 0.143451 708 Fit 0.140607 709 Fit 0.139413 710 Fit 0.140101 711 Fit 0.142581 712 Fit 0.157146 713 Fit 0.162161 714 Fit 0.157051 715 Fit 0.149226 716 Fit 0.144042 717 Fit 0.141218 718 Fit 0.140755 719 Fit 0.142476 720 Fit 0.145847 721 Fit 0.148474 722 Fit 0.153768 723 Fit 0.154225 724 Fit 0.148215 725 Fit 0.143732 726 Fit 0.144065 727 Fit 0.147795 728 Fit 0.158792 729 Fit 0.157594 730 Fit 0.167812 731 Fit 0.161893 732 Fit 0.152269 733 Fit 0.150802 734 Fit 0.157424 735 Fit 0.154088 736 Fit 0.147311 737 Fit 0.144631 738 Fit 0.145300 739 Fit 0.149343 740 Fit 0.157521 741 Fit 0.151210 742 Fit 0.145072 743 Fit 0.141798 744 Fit 0.140686 745 Fit 0.141445 746 Fit 0.144132 747 Fit 0.149192 748 Fit 0.158286 749 Fit 0.152030 750 Fit 0.145494 751 Fit 0.141429 752 Fit 0.139233 753 Fit 0.138538 754 Fit 0.139139 755 Fit 0.141011 756 Fit 0.144390 757 Fit 0.149878 758 Fit 0.157703 759 Fit 0.149600 760 Fit 0.144068 761 Fit 0.140535 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1718 Fit 0.131302 1719 Fit 0.131491 1720 Fit 0.133078 1721 Fit 0.136132 1722 Fit 0.134808 1723 Fit 0.134174 1724 Fit 0.134684 1725 Fit 0.138467 1726 Fit 0.130347 1727 Fit 0.133524 1728 Fit 0.133022 1729 Fit 0.130605 1730 Fit 0.128646 1731 Fit 0.128754 1732 Fit 0.131177 1733 Fit 0.138459 1734 Fit 0.138607 1735 Fit 0.137030 1736 Fit 0.134649 1737 Fit 0.132170 1738 Fit 0.129979 1739 Fit 0.128331 1740 Fit 0.127563 1741 Fit 0.128078 1742 Fit 0.130014 1743 Fit 0.133012 1744 Fit 0.136243 1745 Fit 0.145783 1746 Fit 0.146159 1747 Fit 0.144787 1748 Fit 0.142764 1749 Fit 0.140353 1750 Fit 0.137863 1751 Fit 0.135479 1752 Fit 0.133217 1753 Fit 0.131184 1754 Fit 0.129466 1755 Fit 0.128206 1756 Fit 0.127703 1757 Fit 0.128232 1758 Fit 0.129875 1759 Fit 0.132520 1760 Fit 0.135894 1761 Fit 0.139630 1762 Fit 0.143239 1763 Fit 0.134439 1764 Fit 0.132284 1765 Fit 0.130369 1766 Fit 0.129053 1767 Fit 0.128743 1768 Fit 0.129607 1769 Fit 0.131635 1770 Fit 0.134711 1771 Fit 0.138606 1772 Fit 0.143013 1773 Fit 0.147770 1774 Fit 0.134518 1775 Fit 0.132052 1776 Fit 0.130702 1777 Fit 0.130685 1778 Fit 0.131943 1779 Fit 0.134403 1780 Fit 0.138004 1781 Fit 0.142565 1782 Fit 0.147677 1783 Fit 0.152975 1784 Fit 0.133890 1785 Fit 0.133184 1786 Fit 0.134134 1787 Fit 0.136506 1788 Fit 0.140343 1789 Fit 0.145760 1790 Fit 0.138826 1791 Fit 0.142201 1792 Fit 0.147233 1793 Fit 0.124532 1794 Fit 0.119151 1795 Fit 0.115824 1796 Fit 0.124863 1797 Fit 0.119059 1798 Fit 0.115049 1799 Fit 0.112494 1800 Fit 0.111224 1801 Fit 0.128055 1802 Fit 0.121435 1803 Fit 0.116587 1804 Fit 0.113158 1805 Fit 0.110961 1806 Fit 0.109888 1807 Fit 0.109881 1808 Fit 0.129172 1809 Fit 0.122718 1810 Fit 0.117720 1811 Fit 0.114049 1812 Fit 0.111585 1813 Fit 0.110247 1814 Fit 0.109996 1815 Fit 0.110840 1816 Fit 0.134214 1817 Fit 0.126852 1818 Fit 0.120956 1819 Fit 0.116527 1820 Fit 0.113513 1821 Fit 0.111847 1822 Fit 0.111505 1823 Fit 0.112521 1824 Fit 0.115004 1825 Fit 0.142025 1826 Fit 0.132776 1827 Fit 0.125636 1828 Fit 0.120268 1829 Fit 0.116614 1830 Fit 0.114640 1831 Fit 0.114348 1832 Fit 0.115809 1833 Fit 0.119180 1834 Fit 0.124689 1835 Fit 0.132540 1836 Fit 0.142871 1837 Fit 0.135891 1838 Fit 0.127319 1839 Fit 0.121587 1840 Fit 0.118747 1841 Fit 0.118909 1842 Fit 0.122259 1843 Fit 0.129000 1844 Fit 0.139091 1845 Fit 0.129658 1846 Fit 0.124490 1847 Fit 0.126713 1848 Fit 0.135723 1849 Fit 0.132525 1850 Fit 0.125603 1851 Fit 0.134843 1852 Fit 0.131782 1853 Fit 0.123723 1854 Fit 0.119078 1855 Fit 0.120548 1856 Fit 0.127885 1857 Fit 0.130134 1858 Fit 0.122242 1859 Fit 0.116984 1860 Fit 0.114346 1861 Fit 0.114138 1862 Fit 0.116463 1863 Fit 0.121752 1864 Fit 0.130392 1865 Fit 0.128398 1866 Fit 0.121078 1867 Fit 0.115981 1868 Fit 0.112693 1869 Fit 0.110874 1870 Fit 0.110338 1871 Fit 0.111071 1872 Fit 0.113241 1873 Fit 0.117196 1874 Fit 0.123460 1875 Fit 0.132728 1876 Fit 0.130707 1877 Fit 0.122347 1878 Fit 0.116495 1879 Fit 0.112490 1880 Fit 0.109869 1881 Fit 0.108335 1882 Fit 0.107731 1883 Fit 0.108027 1884 Fit 0.109308 1885 Fit 0.111786 1886 Fit 0.115808 1887 Fit 0.121886 1888 Fit 0.132983 1889 Fit 0.123928 1890 Fit 0.117560 1891 Fit 0.113067 1892 Fit 0.109937 1893 Fit 0.107830 1894 Fit 0.106534 1895 Fit 0.105935 1896 Fit 0.105999 1897 Fit 0.106773 1898 Fit 0.108378 1899 Fit 0.111026 1900 Fit 0.115026 1901 Fit 0.129168 1902 Fit 0.121105 1903 Fit 0.115394 1904 Fit 0.111347 1905 Fit 0.108510 1906 Fit 0.106583 1907 Fit 0.105380 1908 Fit 0.104797 1909 Fit 0.104807 1910 Fit 0.105444 1911 Fit 0.106816 1912 Fit 0.109109 1913 Fit 0.112612 1914 Fit 0.123411 1915 Fit 0.116967 1916 Fit 0.112372 1917 Fit 0.109117 1918 Fit 0.106856 1919 Fit 0.105367 1920 Fit 0.104518 1921 Fit 0.104250 1922 Fit 0.104569 1923 Fit 0.105548 1924 Fit 0.107340 1925 Fit 0.110215 1926 Fit 0.115536 1927 Fit 0.111257 1928 Fit 0.108282 1929 Fit 0.106291 1930 Fit 0.105083 1931 Fit 0.104555 1932 Fit 0.104684 1933 Fit 0.105529 1934 Fit 0.107252 1935 Fit 0.110193 1936 Fit 0.113405 1937 Fit 0.109856 1938 Fit 0.107546 1939 Fit 0.106213 1940 Fit 0.105724 1941 Fit 0.106061 1942 Fit 0.107325 1943 Fit 0.110319 1944 Fit 0.108586 1945 Fit 0.108153 1946 Fit 0.120874 1947 Fit 0.124503 1948 Fit 0.130837 1949 Fit 0.139965 1950 Fit 0.115447 1951 Fit 0.117366 1952 Fit 0.121329 1953 Fit 0.127282 1954 Fit 0.135459 1955 Fit 0.112073 1956 Fit 0.113016 1957 Fit 0.115543 1958 Fit 0.119509 1959 Fit 0.124977 1960 Fit 0.132172 1961 Fit 0.141508 1962 Fit 0.110897 1963 Fit 0.110016 1964 Fit 0.110824 1965 Fit 0.112977 1966 Fit 0.116355 1967 Fit 0.120998 1968 Fit 0.127064 1969 Fit 0.134812 1970 Fit 0.109067 1971 Fit 0.109290 1972 Fit 0.110778 1973 Fit 0.113394 1974 Fit 0.117125 1975 Fit 0.122072 1976 Fit 0.128439 1977 Fit 0.136510 1978 Fit 0.109113 1979 Fit 0.109065 1980 Fit 0.110308 1981 Fit 0.112711 1982 Fit 0.116260 1983 Fit 0.121063 1984 Fit 0.127360 1985 Fit 0.135569 1986 Fit 0.109822 1987 Fit 0.110250 1988 Fit 0.111989 1989 Fit 0.114972 1990 Fit 0.119266 1991 Fit 0.125100 1992 Fit 0.132959 1993 Fit 0.112212 1994 Fit 0.111750 1995 Fit 0.113008 1996 Fit 0.115869 1997 Fit 0.120394 1998 Fit 0.126894 1999 Fit 0.136148 2000 Fit 0.114921 2001 Fit 0.115185 2002 Fit 0.117571 2003 Fit 0.122079 2004 Fit 0.129015 2005 Fit 0.119259 2006 Fit 0.121531 2007 Fit 0.127499 2008 Fit 0.137323 2009 Fit 0.126396 2010 Fit 0.126900 2011 Fit 0.135347 2012 Fit 0.134090 2013 Fit 0.140664 2014 Fit 0.138716 2015 Fit 0.138129 2016 Fit 0.138510 2017 Fit 0.138298 2018 Fit 0.138453 2019 Fit 0.139522 2020 Fit 0.132241 2021 Fit 0.134601 2022 Fit 0.127806 2023 Fit 0.123523 2024 Fit 0.118141 2025 Fit 0.109693 2026 Fit 0.110248 2027 Fit 0.112276 2028 Fit 0.115825 2029 Fit 0.120893 2030 Fit 0.108860 2031 Fit 0.108690 2032 Fit 0.109907 2033 Fit 0.111011 2034 Fit 0.114423 2035 Fit 0.119332 2036 Fit 0.108075 2037 Fit 0.108893 2038 Fit 0.110888 2039 Fit 0.108140 2040 Fit 0.108790 2041 Fit 0.108764 2042 Fit 0.109357 2043 Fit 0.132560 2044 Fit 0.109906 2045 Fit 0.139420 2046 Fit 0.133728 2047 Fit 0.127663 2048 Fit 0.111691 2049 Fit 0.126782 2050 Fit 0.121148 2051 Fit 0.117014 2052 Fit 0.114642 2053 Fit 0.137600 2054 Fit 0.136963 2055 Fit 0.135928 2056 Fit 0.133846 2057 Fit 0.133870 2058 Fit 0.135898 2059 Fit 0.134125 2060 Fit 0.131981 2061 Fit 0.131526 2062 Fit 0.132794 2063 Fit 0.136026 2064 Fit 0.137495 2065 Fit 0.134075 2066 Fit 0.131601 2067 Fit 0.130397 2068 Fit 0.130622 2069 Fit 0.132421 2070 Fit 0.149763 2071 Fit 0.142694 2072 Fit 0.137997 2073 Fit 0.134394 2074 Fit 0.131729 2075 Fit 0.130244 2076 Fit 0.130154 2077 Fit 0.131575 2078 Fit 0.134516 2079 Fit 0.148628 2080 Fit 0.141359 2081 Fit 0.136439 2082 Fit 0.133091 2083 Fit 0.131128 2084 Fit 0.130633 2085 Fit 0.131634 2086 Fit 0.133898 2087 Fit 0.147499 2088 Fit 0.140316 2089 Fit 0.135347 2090 Fit 0.132696 2091 Fit 0.132332 2092 Fit 0.134023 2093 Fit 0.137274 2094 Fit 0.140212 2095 Fit 0.145103 2096 Fit 0.145226 2097 Fit 0.139602 2098 Fit 0.135411 2099 Fit 0.135880 2100 Fit 0.139466 2101 Fit 0.150812 2102 Fit 0.149778 2103 Fit 0.144614 2104 Fit 0.143220 2105 Fit 0.149807 2106 Fit 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0.132672 2440 Fit 0.130218 2441 Fit 0.128779 2442 Fit 0.129194 2443 Fit 0.130691 2444 Fit 0.133068 2445 Fit 0.135774 2446 Fit 0.143437 2447 Fit 0.144666 2448 Fit 0.144951 2449 Fit 0.143225 2450 Fit 0.140196 2451 Fit 0.136884 2452 Fit 0.133828 2453 Fit 0.131337 2454 Fit 0.129623 2455 Fit 0.128855 2456 Fit 0.130510 2457 Fit 0.132463 2458 Fit 0.135671 2459 Fit 0.149802 2460 Fit 0.145227 2461 Fit 0.141038 2462 Fit 0.137327 2463 Fit 0.134260 2464 Fit 0.131954 2465 Fit 0.130471 2466 Fit 0.129920 2467 Fit 0.132622 2468 Fit 0.135024 2469 Fit 0.151661 2470 Fit 0.146678 2471 Fit 0.142229 2472 Fit 0.138543 2473 Fit 0.135705 2474 Fit 0.133656 2475 Fit 0.132355 2476 Fit 0.131907 2477 Fit 0.135491 2478 Fit 0.146192 2479 Fit 0.142130 2480 Fit 0.139218 2481 Fit 0.137118 2482 Fit 0.135646 2483 Fit 0.134939 2484 Fit 0.152332 2485 Fit 0.147878 2486 Fit 0.142873 2487 Fit 0.140885 2488 Fit 0.139430 2489 Fit 0.131905 2490 Fit 0.132453 2491 Fit 0.130004 2492 Fit 0.130386 2493 Fit 0.132981 2494 Fit 0.135162 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5492 Fit 0.107891 5493 Fit 0.111324 5494 Fit 0.115456 5495 Fit 0.120433 5496 Fit 0.101976 5497 Fit 0.103892 5498 Fit 0.106513 5499 Fit 0.109834 5500 Fit 0.113903 5501 Fit 0.118870 5502 Fit 0.100792 5503 Fit 0.101524 5504 Fit 0.103501 5505 Fit 0.106256 5506 Fit 0.109797 5507 Fit 0.114176 5508 Fit 0.119484 5509 Fit 0.099993 5510 Fit 0.100345 5511 Fit 0.101708 5512 Fit 0.103745 5513 Fit 0.106637 5514 Fit 0.110362 5515 Fit 0.114882 5516 Fit 0.120041 5517 Fit 0.127212 5518 Fit 0.100950 5519 Fit 0.100300 5520 Fit 0.100552 5521 Fit 0.102494 5522 Fit 0.104696 5523 Fit 0.107897 5524 Fit 0.111930 5525 Fit 0.116432 5526 Fit 0.120679 5527 Fit 0.123701 5528 Fit 0.124877 5529 Fit 0.124222 5530 Fit 0.122014 5531 Fit 0.118680 5532 Fit 0.114769 5533 Fit 0.110844 5534 Fit 0.107340 5535 Fit 0.104496 5536 Fit 0.102459 5537 Fit 0.101380 5538 Fit 0.101379 5539 Fit 0.103881 5540 Fit 0.106479 5541 Fit 0.110285 5542 Fit 0.114388 5543 Fit 0.117379 5544 Fit 0.118118 5545 Fit 0.116487 5546 Fit 0.113198 5547 Fit 0.109343 5548 Fit 0.105938 5549 Fit 0.103659 5550 Fit 0.102912 5551 Fit 0.105896 5552 Fit 0.109164 5553 Fit 0.112436 5554 Fit 0.112080 5555 Fit 0.108632 5556 Fit 0.105699 5557 Fit 0.108597 5558 Fit 0.114982 5559 Fit 0.111289 5560 Fit 0.114916 5561 Fit 0.110285 5562 Fit 0.107103 5563 Fit 0.105157 5564 Fit 0.104359 5565 Fit 0.115406 5566 Fit 0.110366 5567 Fit 0.106592 5568 Fit 0.103864 5569 Fit 0.102041 5570 Fit 0.101050 5571 Fit 0.100888 5572 Fit 0.101620 5573 Fit 0.114163 5574 Fit 0.109163 5575 Fit 0.105322 5576 Fit 0.102432 5577 Fit 0.100348 5578 Fit 0.098982 5579 Fit 0.098299 5580 Fit 0.098310 5581 Fit 0.099079 5582 Fit 0.119467 5583 Fit 0.113263 5584 Fit 0.108383 5585 Fit 0.104563 5586 Fit 0.101608 5587 Fit 0.099378 5588 Fit 0.097780 5589 Fit 0.096761 5590 Fit 0.096307 5591 Fit 0.096438 5592 Fit 0.097211 5593 Fit 0.114562 5594 Fit 0.109340 5595 Fit 0.105216 5596 Fit 0.101971 5597 Fit 0.099449 5598 Fit 0.097540 5599 Fit 0.096174 5600 Fit 0.095314 5601 Fit 0.094951 5602 Fit 0.095107 5603 Fit 0.095830 5604 Fit 0.097198 5605 Fit 0.114514 5606 Fit 0.109116 5607 Fit 0.104869 5608 Fit 0.101530 5609 Fit 0.098931 5610 Fit 0.096953 5611 Fit 0.095519 5612 Fit 0.094588 5613 Fit 0.094146 5614 Fit 0.094208 5615 Fit 0.094818 5616 Fit 0.096045 5617 Fit 0.117129 5618 Fit 0.110988 5619 Fit 0.106182 5620 Fit 0.102415 5621 Fit 0.099480 5622 Fit 0.097234 5623 Fit 0.095582 5624 Fit 0.094466 5625 Fit 0.093861 5626 Fit 0.093775 5627 Fit 0.094244 5628 Fit 0.095333 5629 Fit 0.113280 5630 Fit 0.107990 5631 Fit 0.103812 5632 Fit 0.100539 5633 Fit 0.098017 5634 Fit 0.096138 5635 Fit 0.094831 5636 Fit 0.094063 5637 Fit 0.093832 5638 Fit 0.094165 5639 Fit 0.095123 5640 Fit 0.096792 5641 Fit 0.114392 5642 Fit 0.108786 5643 Fit 0.104315 5644 Fit 0.100828 5645 Fit 0.098184 5646 Fit 0.096276 5647 Fit 0.095034 5648 Fit 0.094433 5649 Fit 0.094486 5650 Fit 0.095245 5651 Fit 0.096804 5652 Fit 0.115449 5653 Fit 0.109843 5654 Fit 0.105186 5655 Fit 0.101516 5656 Fit 0.098768 5657 Fit 0.096861 5658 Fit 0.095745 5659 Fit 0.095412 5660 Fit 0.095902 5661 Fit 0.097303 5662 Fit 0.108040 5663 Fit 0.103751 5664 Fit 0.100491 5665 Fit 0.098298 5666 Fit 0.097166 5667 Fit 0.097119 5668 Fit 0.098241 5669 Fit 0.108551 5670 Fit 0.104062 5671 Fit 0.100868 5672 Fit 0.099352 5673 Fit 0.099694 5674 Fit 0.104879 5675 Fit 0.102341 5676 Fit 0.122366 5677 Fit 0.126642 5678 Fit 0.121416 5679 Fit 0.120017 5680 Fit 0.116910 5681 Fit 0.121414 5682 Fit 0.126232 5683 Fit 0.119813 5684 Fit 0.115864 5685 Fit 0.114152 5686 Fit 0.114516 5687 Fit 0.112642 5688 Fit 0.116393 5689 Fit 0.121241 5690 Fit 0.115643 5691 Fit 0.111978 5692 Fit 0.109973 5693 Fit 0.109459 5694 Fit 0.110350 5695 Fit 0.109324 5696 Fit 0.112690 5697 Fit 0.113372 5698 Fit 0.109562 5699 Fit 0.107176 5700 Fit 0.106032 5701 Fit 0.106028 5702 Fit 0.107121 5703 Fit 0.106788 5704 Fit 0.109848 5705 Fit 0.108034 5706 Fit 0.105397 5707 Fit 0.103828 5708 Fit 0.103220 5709 Fit 0.103515 5710 Fit 0.104696 5711 Fit 0.104919 5712 Fit 0.107925 5713 Fit 0.105451 5714 Fit 0.103110 5715 Fit 0.101751 5716 Fit 0.101282 5717 Fit 0.101653 5718 Fit 0.102854 5719 Fit 0.103639 5720 Fit 0.106559 5721 Fit 0.101655 5722 Fit 0.100431 5723 Fit 0.100046 5724 Fit 0.100449 5725 Fit 0.101634 5726 Fit 0.102908 5727 Fit 0.105780 5728 Fit 0.099905 5729 Fit 0.099469 5730 Fit 0.099825 5731 Fit 0.100958 5732 Fit 0.102719 5733 Fit 0.105650 5734 Fit 0.099579 5735 Fit 0.099757 5736 Fit 0.100794 5737 Fit 0.103108 5738 Fit 0.106104 5739 Fit 0.101228 5740 Fit 0.119944 5741 Fit 0.121118 5742 Fit 0.122672 5743 Fit 0.119139 5744 Fit 0.119274 5745 Fit 0.124795 5746 Fit 0.119068 5747 Fit 0.118833 5748 Fit 0.119155 5749 Fit 0.127732 5750 Fit 0.129048 5751 Fit 0.119499 5752 Fit 0.119240 5753 Fit 0.115661 5754 Fit 0.113210 5755 Fit 0.118117 5756 Fit 0.117458 5757 Fit 0.112606 5758 Fit 0.109162 5759 Fit 0.113137 5760 Fit 0.118351 5761 Fit 0.115325 5762 Fit 0.110682 5763 Fit 0.107171 5764 Fit 0.106085 5765 Fit 0.109376 5766 Fit 0.113702 5767 Fit 0.119200 5768 Fit 0.113863 5769 Fit 0.109356 5770 Fit 0.105910 5771 Fit 0.103388 5772 Fit 0.102144 5773 Fit 0.104421 5774 Fit 0.107483 5775 Fit 0.111459 5776 Fit 0.105420 5777 Fit 0.102745 5778 Fit 0.100812 5779 Fit 0.099027 5780 Fit 0.097969 5781 Fit 0.098721 5782 Fit 0.100063 5783 Fit 0.101978 5784 Fit 0.100634 5785 Fit 0.099154 5786 Fit 0.097851 5787 Fit 0.097044 5788 Fit 0.096648 5789 Fit 0.096607 5790 Fit 0.096902 5791 Fit 0.097561 5792 Fit 0.098647 5793 Fit 0.100248 5794 Fit 0.098329 5795 Fit 0.097359 5796 Fit 0.096865 5797 Fit 0.096798 5798 Fit 0.097145 5799 Fit 0.097928 5800 Fit 0.099204 5801 Fit 0.099287 5802 Fit 0.098181 5803 Fit 0.097647 5804 Fit 0.097643 5805 Fit 0.098164 5806 Fit 0.099241 5807 Fit 0.099492 5808 Fit 0.098991 5809 Fit 0.099155 5810 Fit 0.099990 5811 Fit 0.101333 5812 Fit 0.100939 5813 Fit 0.101353 5814 Fit 0.103715 5815 Fit 0.103576 5816 Fit 0.104451 5817 Fit 0.106802 5818 Fit 0.107064 5819 Fit 0.111324 5820 Fit 0.110830 5821 Fit 0.115999 5822 Fit 0.116317 5823 Fit 0.123875 5824 Fit 0.122256 5825 Fit 0.117194 5826 Fit 0.115667 5827 Fit 0.117026 5828 Fit 0.118889 5829 Fit 0.119577 5830 Fit 0.118274 5831 Fit 0.116239 5832 Fit 0.114882 5833 Fit 0.116000 5834 Fit 0.117802 5835 Fit 0.119778 5836 Fit 0.121476 5837 Fit 0.122615 5838 Fit 0.122989 5839 Fit 0.122208 5840 Fit 0.120282 5841 Fit 0.117929 5842 Fit 0.115940 5843 Fit 0.114841 5844 Fit 0.114769 5845 Fit 0.115887 5846 Fit 0.117596 5847 Fit 0.127688 5848 Fit 0.127276 5849 Fit 0.125684 5850 Fit 0.123272 5851 Fit 0.120637 5852 Fit 0.118210 5853 Fit 0.116262 5854 Fit 0.114968 5855 Fit 0.114449 5856 Fit 0.115286 5857 Fit 0.116569 5858 Fit 0.118466 5859 Fit 0.128399 5860 Fit 0.125226 5861 Fit 0.122250 5862 Fit 0.119638 5863 Fit 0.117508 5864 Fit 0.115943 5865 Fit 0.115008 5866 Fit 0.114768 5867 Fit 0.116407 5868 Fit 0.117967 5869 Fit 0.132590 5870 Fit 0.128771 5871 Fit 0.125344 5872 Fit 0.122348 5873 Fit 0.119854 5874 Fit 0.117914 5875 Fit 0.116551 5876 Fit 0.115794 5877 Fit 0.115712 5878 Fit 0.118109 5879 Fit 0.133308 5880 Fit 0.129426 5881 Fit 0.125999 5882 Fit 0.123116 5883 Fit 0.120818 5884 Fit 0.119088 5885 Fit 0.117899 5886 Fit 0.117268 5887 Fit 0.117283 5888 Fit 0.128771 5889 Fit 0.125648 5890 Fit 0.123259 5891 Fit 0.121493 5892 Fit 0.120255 5893 Fit 0.119546 5894 Fit 0.119491 5895 Fit 0.129051 5896 Fit 0.123663 5897 Fit 0.122764 5898 Fit 0.118907 5899 Fit 0.119056 5900 Fit 0.116959 5901 Fit 0.117304 5902 Fit 0.119702 5903 Fit 0.121773 5904 Fit 0.117514 5905 Fit 0.115798 5906 Fit 0.115443 5907 Fit 0.116512 5908 Fit 0.118722 5909 Fit 0.121473 5910 Fit 0.124025 5911 Fit 0.119362 5912 Fit 0.116949 5913 Fit 0.115331 5914 Fit 0.114702 5915 Fit 0.115087 5916 Fit 0.116425 5917 Fit 0.118593 5918 Fit 0.121347 5919 Fit 0.124305 5920 Fit 0.127094 5921 Fit 0.129458 5922 Fit 0.119300 5923 Fit 0.116875 5924 Fit 0.115294 5925 Fit 0.114629 5926 Fit 0.114837 5927 Fit 0.115860 5928 Fit 0.117665 5929 Fit 0.120202 5930 Fit 0.123325 5931 Fit 0.126716 5932 Fit 0.117080 5933 Fit 0.115627 5934 Fit 0.115100 5935 Fit 0.115379 5936 Fit 0.116393 5937 Fit 0.118142 5938 Fit 0.120667 5939 Fit 0.123981 5940 Fit 0.117766 5941 Fit 0.116539 5942 Fit 0.116191 5943 Fit 0.116553 5944 Fit 0.117551 5945 Fit 0.119205 5946 Fit 0.121613 5947 Fit 0.124916 5948 Fit 0.118568 5949 Fit 0.117984 5950 Fit 0.118157 5951 Fit 0.118937 5952 Fit 0.120299 5953 Fit 0.122344 5954 Fit 0.125298 5955 Fit 0.120558 5956 Fit 0.120669 5957 Fit 0.121340 5958 Fit 0.122463 5959 Fit 0.124071 5960 Fit 0.126388 5961 Fit 0.129840 5962 Fit 0.111319 5963 Fit 0.107660 5964 Fit 0.108976 5965 Fit 0.105502 5966 Fit 0.103263 5967 Fit 0.100680 5968 Fit 0.107216 5969 Fit 0.104034 5970 Fit 0.101898 5971 Fit 0.099996 5972 Fit 0.099495 5973 Fit 0.106299 5974 Fit 0.103320 5975 Fit 0.101255 5976 Fit 0.099987 5977 Fit 0.099398 5978 Fit 0.099547 5979 Fit 0.106425 5980 Fit 0.103435 5981 Fit 0.101318 5982 Fit 0.100618 5983 Fit 0.099981 5984 Fit 0.100119 5985 Fit 0.107323 5986 Fit 0.104241 5987 Fit 0.102028 5988 Fit 0.101901 5989 Fit 0.101250 5990 Fit 0.101422 5991 Fit 0.102464 5992 Fit 0.108782 5993 Fit 0.105640 5994 Fit 0.103359 5995 Fit 0.103892 5996 Fit 0.103247 5997 Fit 0.103616 5998 Fit 0.105078 5999 Fit 0.108137 6000 Fit 0.105519 6001 Fit 0.106704 6002 Fit 0.106107 6003 Fit 0.106802 6004 Fit 0.111669 6005 Fit 0.108550 6006 Fit 0.110517 6007 Fit 0.110047 6008 Fit 0.111482 6009 Fit 0.112838 6010 Fit 0.115594 6011 Fit 0.115583 6012 Fit 0.119132 6013 Fit 0.110086 6014 Fit 0.106051 6015 Fit 0.106080 6016 Fit 0.110258 6017 Fit 0.115125 6018 Fit 0.115145 6019 Fit 0.110223 6020 Fit 0.102840 6021 Fit 0.101874 6022 Fit 0.102910 6023 Fit 0.105932 6024 Fit 0.110748 6025 Fit 0.116521 6026 Fit 0.116557 6027 Fit 0.110644 6028 Fit 0.105814 6029 Fit 0.100321 6030 Fit 0.099202 6031 Fit 0.099237 6032 Fit 0.100424 6033 Fit 0.102824 6034 Fit 0.106523 6035 Fit 0.111547 6036 Fit 0.117665 6037 Fit 0.117564 6038 Fit 0.111317 6039 Fit 0.106300 6040 Fit 0.102654 6041 Fit 0.098395 6042 Fit 0.097259 6043 Fit 0.096954 6044 Fit 0.097459 6045 Fit 0.098807 6046 Fit 0.101076 6047 Fit 0.104390 6048 Fit 0.108896 6049 Fit 0.114716 6050 Fit 0.113235 6051 Fit 0.107702 6052 Fit 0.103486 6053 Fit 0.100433 6054 Fit 0.097000 6055 Fit 0.095863 6056 Fit 0.095404 6057 Fit 0.095596 6058 Fit 0.096448 6059 Fit 0.098012 6060 Fit 0.100383 6061 Fit 0.103699 6062 Fit 0.108146 6063 Fit 0.113949 6064 Fit 0.116732 6065 Fit 0.110339 6066 Fit 0.105384 6067 Fit 0.101630 6068 Fit 0.098886 6069 Fit 0.096101 6070 Fit 0.094980 6071 Fit 0.094426 6072 Fit 0.094407 6073 Fit 0.094920 6074 Fit 0.095995 6075 Fit 0.097691 6076 Fit 0.100106 6077 Fit 0.103376 6078 Fit 0.107686 6079 Fit 0.113284 6080 Fit 0.108040 6081 Fit 0.103669 6082 Fit 0.100331 6083 Fit 0.097852 6084 Fit 0.095689 6085 Fit 0.094535 6086 Fit 0.093924 6087 Fit 0.093820 6088 Fit 0.094217 6089 Fit 0.095135 6090 Fit 0.096626 6091 Fit 0.098776 6092 Fit 0.101709 6093 Fit 0.105598 6094 Fit 0.110679 6095 Fit 0.107582 6096 Fit 0.103240 6097 Fit 0.099923 6098 Fit 0.097452 6099 Fit 0.095784 6100 Fit 0.094595 6101 Fit 0.093929 6102 Fit 0.093748 6103 Fit 0.094040 6104 Fit 0.094819 6105 Fit 0.096129 6106 Fit 0.098041 6107 Fit 0.100661 6108 Fit 0.104140 6109 Fit 0.103321 6110 Fit 0.100029 6111 Fit 0.097562 6112 Fit 0.096433 6113 Fit 0.095174 6114 Fit 0.094451 6115 Fit 0.094222 6116 Fit 0.094471 6117 Fit 0.095211 6118 Fit 0.096482 6119 Fit 0.098353 6120 Fit 0.100928 6121 Fit 0.100883 6122 Fit 0.098301 6123 Fit 0.097713 6124 Fit 0.096310 6125 Fit 0.095522 6126 Fit 0.095298 6127 Fit 0.095621 6128 Fit 0.096507 6129 Fit 0.098011 6130 Fit 0.111609 6131 Fit 0.116593 6132 Fit 0.103293 6133 Fit 0.105020 6134 Fit 0.107880 6135 Fit 0.112044 6136 Fit 0.101427 6137 Fit 0.102867 6138 Fit 0.105232 6139 Fit 0.108647 6140 Fit 0.099954 6141 Fit 0.100555 6142 Fit 0.101918 6143 Fit 0.104091 6144 Fit 0.107173 6145 Fit 0.111352 6146 Fit 0.099824 6147 Fit 0.099923 6148 Fit 0.100766 6149 Fit 0.102371 6150 Fit 0.104791 6151 Fit 0.108128 6152 Fit 0.100753 6153 Fit 0.100367 6154 Fit 0.100778 6155 Fit 0.101978 6156 Fit 0.103994 6157 Fit 0.106888 6158 Fit 0.110759 6159 Fit 0.101877 6160 Fit 0.101749 6161 Fit 0.102466 6162 Fit 0.104025 6163 Fit 0.106458 6164 Fit 0.109825 6165 Fit 0.104487 6166 Fit 0.103815 6167 Fit 0.104202 6168 Fit 0.105619 6169 Fit 0.108085 6170 Fit 0.111656 6171 Fit 0.108635 6172 Fit 0.107066 6173 Fit 0.106875 6174 Fit 0.107992 6175 Fit 0.110415 6176 Fit 0.114199 6177 Fit 0.115053 6178 Fit 0.111912 6179 Fit 0.110816 6180 Fit 0.111628 6181 Fit 0.114314 6182 Fit 0.118933 6183 Fit 0.119547 6184 Fit 0.116392 6185 Fit 0.116770 6186 Fit 0.120552 ----------------------------------------------------------------- Leave Link 602 at Tue Sep 15 17:38:49 2020, MaxMem= 33554432 cpu: 1.8 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.006109931 0.008385638 -0.005651791 2 6 -0.014057542 0.006248483 0.039214804 3 1 -0.007397676 -0.015238370 0.006411426 4 1 0.008124846 -0.005808715 -0.016435580 5 1 0.011583539 0.007972317 0.010701511 6 7 0.006933405 0.003493619 -0.007136925 7 1 0.011137997 0.011898287 -0.017511010 8 1 -0.006622943 -0.011238515 -0.020816902 9 6 0.009235577 0.035874646 -0.027986874 10 6 0.007674255 0.002951095 0.008097495 11 1 0.010819516 -0.020684762 0.009675519 12 1 -0.013191984 -0.004110644 0.021163878 13 1 0.009619476 -0.006257207 -0.014037574 14 1 -0.006579272 -0.015378086 0.009273683 15 1 -0.015080309 0.010140352 -0.002254828 16 6 0.039438828 -0.018001474 0.009008398 17 6 -0.004846729 -0.013861816 0.001113105 18 1 -0.017942740 -0.000510078 -0.018064676 19 1 -0.017988280 0.011703124 0.013532644 20 1 0.008646020 -0.004926133 -0.016480310 21 1 -0.014875634 0.011931282 -0.003090986 22 1 0.004029774 0.008502667 0.016318239 23 6 -0.030814364 -0.017251944 -0.026968004 24 6 -0.008917674 -0.007906104 0.009487779 25 1 -0.003373547 0.013925300 0.019370180 26 1 0.022589234 -0.006070472 0.012588206 27 1 -0.005064212 0.012047832 -0.008054661 28 1 0.012497074 0.009649860 0.010381629 29 1 0.010533298 -0.007480181 -0.011848375 ------------------------------------------------------------------- Cartesian Forces: Max 0.039438828 RMS 0.014290943 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Internal Forces: Max 0.023243481 RMS 0.008105205 Search for a local minimum. Step number 1 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. Eigenvalues --- 0.00230 0.00230 0.00230 0.00230 0.00246 Eigenvalues --- 0.00261 0.00322 0.00339 0.02925 0.03048 Eigenvalues --- 0.03072 0.03157 0.04151 0.04606 0.04607 Eigenvalues --- 0.04653 0.04654 0.04803 0.04880 0.05160 Eigenvalues --- 0.05206 0.05251 0.05392 0.05613 0.05648 Eigenvalues --- 0.05698 0.05879 0.08827 0.08978 0.09127 Eigenvalues --- 0.09183 0.12551 0.12653 0.12736 0.12809 Eigenvalues --- 0.13966 0.14779 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.21899 Eigenvalues --- 0.21935 0.21989 0.22030 0.27733 0.28310 Eigenvalues --- 0.28372 0.29212 0.31294 0.31419 0.31536 Eigenvalues --- 0.32011 0.32084 0.32137 0.32169 0.32222 Eigenvalues --- 0.32409 0.32456 0.32465 0.32512 0.32539 Eigenvalues --- 0.32549 0.32553 0.32708 0.32767 0.32822 Eigenvalues --- 0.32833 0.32861 0.32911 0.32940 0.32985 Eigenvalues --- 0.337501000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-3.67142640D-02 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.727 Iteration 1 RMS(Cart)= 0.03851716 RMS(Int)= 0.00096332 Iteration 2 RMS(Cart)= 0.00088429 RMS(Int)= 0.00045765 Iteration 3 RMS(Cart)= 0.00000130 RMS(Int)= 0.00045764 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00045764 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91332 -0.00734 0.00000 -0.01664 -0.01664 2.89669 R2 2.09345 -0.01801 0.00000 -0.03586 -0.03586 2.05759 R3 2.09843 -0.01902 0.00000 -0.03816 -0.03816 2.06028 R4 2.09208 -0.01750 0.00000 -0.03476 -0.03476 2.05732 R5 2.84125 -0.00150 0.00000 -0.00305 -0.00305 2.83820 R6 2.09568 -0.02189 0.00000 -0.04373 -0.04373 2.05195 R7 2.10017 -0.02187 0.00000 -0.04400 -0.04400 2.05617 R8 2.85220 0.00080 0.00000 0.00167 0.00167 2.85386 R9 2.85001 0.00042 0.00000 0.00086 0.00086 2.85086 R10 2.85455 0.00009 0.00000 0.00018 0.00018 2.85473 R11 2.91465 -0.00748 0.00000 -0.01700 -0.01700 2.89765 R12 2.10102 -0.02282 0.00000 -0.04596 -0.04596 2.05506 R13 2.10690 -0.02262 0.00000 -0.04599 -0.04599 2.06091 R14 2.09366 -0.01793 0.00000 -0.03570 -0.03570 2.05796 R15 2.09851 -0.01883 0.00000 -0.03778 -0.03778 2.06073 R16 2.09297 -0.01812 0.00000 -0.03605 -0.03605 2.05691 R17 2.89564 -0.00132 0.00000 -0.00293 -0.00293 2.89271 R18 2.10000 -0.02270 0.00000 -0.04566 -0.04566 2.05434 R19 2.10594 -0.02241 0.00000 -0.04548 -0.04548 2.06047 R20 2.09463 -0.01859 0.00000 -0.03709 -0.03709 2.05754 R21 2.09916 -0.01868 0.00000 -0.03751 -0.03751 2.06165 R22 2.09077 -0.01798 0.00000 -0.03565 -0.03565 2.05512 R23 2.92725 -0.00993 0.00000 -0.02298 -0.02298 2.90428 R24 2.10439 -0.02222 0.00000 -0.04499 -0.04499 2.05940 R25 2.10537 -0.02324 0.00000 -0.04713 -0.04713 2.05823 R26 2.07754 -0.01529 0.00000 -0.02969 -0.02969 2.04786 R27 2.09869 -0.01836 0.00000 -0.03685 -0.03685 2.06184 R28 2.09156 -0.01749 0.00000 -0.03473 -0.03473 2.05683 A1 1.95168 0.00297 0.00000 0.01281 0.01275 1.96443 A2 1.90087 -0.00503 0.00000 -0.02086 -0.02079 1.88008 A3 1.95850 0.00364 0.00000 0.01396 0.01389 1.97239 A4 1.86526 0.00090 0.00000 0.00241 0.00248 1.86774 A5 1.89943 -0.00255 0.00000 -0.00543 -0.00561 1.89383 A6 1.88461 -0.00015 0.00000 -0.00399 -0.00392 1.88069 A7 2.01497 0.00432 0.00000 0.01079 0.01110 2.02608 A8 1.88023 0.00380 0.00000 0.02695 0.02691 1.90714 A9 1.86918 0.00468 0.00000 0.03068 0.03066 1.89984 A10 1.92734 -0.00732 0.00000 -0.03926 -0.03956 1.88778 A11 1.93200 -0.00831 0.00000 -0.04413 -0.04443 1.88758 A12 1.82986 0.00333 0.00000 0.01914 0.01734 1.84720 A13 1.93661 0.00075 0.00000 0.00352 0.00352 1.94013 A14 1.91088 -0.00055 0.00000 -0.00061 -0.00062 1.91026 A15 1.96003 0.00035 0.00000 0.00157 0.00157 1.96161 A16 1.86030 0.00022 0.00000 0.00053 0.00053 1.86082 A17 1.84546 -0.00122 0.00000 -0.00646 -0.00645 1.83901 A18 1.94738 0.00045 0.00000 0.00134 0.00133 1.94871 A19 2.03407 0.00481 0.00000 0.01304 0.01341 2.04747 A20 1.93487 -0.00841 0.00000 -0.04337 -0.04381 1.89106 A21 1.91829 -0.00871 0.00000 -0.04694 -0.04732 1.87097 A22 1.86030 0.00502 0.00000 0.03439 0.03442 1.89472 A23 1.86862 0.00471 0.00000 0.03078 0.03079 1.89941 A24 1.83612 0.00320 0.00000 0.01673 0.01454 1.85065 A25 1.95356 0.00385 0.00000 0.01492 0.01486 1.96842 A26 1.89728 -0.00613 0.00000 -0.02443 -0.02433 1.87295 A27 1.95863 0.00373 0.00000 0.01494 0.01488 1.97351 A28 1.87082 0.00066 0.00000 0.00019 0.00028 1.87110 A29 1.91505 -0.00345 0.00000 -0.00969 -0.00987 1.90518 A30 1.86410 0.00103 0.00000 0.00258 0.00268 1.86678 A31 2.05375 0.00458 0.00000 0.01471 0.01514 2.06888 A32 1.91651 -0.00875 0.00000 -0.04563 -0.04629 1.87022 A33 1.92912 -0.00916 0.00000 -0.04897 -0.04955 1.87958 A34 1.83765 0.00615 0.00000 0.04057 0.04065 1.87830 A35 1.84828 0.00585 0.00000 0.03707 0.03715 1.88543 A36 1.86813 0.00229 0.00000 0.00789 0.00514 1.87327 A37 1.95572 0.00583 0.00000 0.02016 0.02007 1.97578 A38 1.89663 -0.00800 0.00000 -0.03016 -0.02996 1.86667 A39 1.93697 0.00610 0.00000 0.02452 0.02446 1.96144 A40 1.87744 0.00008 0.00000 -0.00368 -0.00354 1.87390 A41 1.95051 -0.00666 0.00000 -0.02361 -0.02388 1.92663 A42 1.84115 0.00202 0.00000 0.01048 0.01071 1.85186 A43 2.06023 0.00576 0.00000 0.01709 0.01744 2.07767 A44 1.91448 -0.00793 0.00000 -0.04314 -0.04360 1.87089 A45 1.92460 -0.00980 0.00000 -0.04805 -0.04873 1.87587 A46 1.89798 0.00316 0.00000 0.02273 0.02282 1.92079 A47 1.80389 0.00678 0.00000 0.04500 0.04519 1.84908 A48 1.84934 0.00264 0.00000 0.01093 0.00866 1.85800 A49 2.01086 -0.00067 0.00000 -0.00134 -0.00140 2.00946 A50 1.89256 -0.00644 0.00000 -0.02658 -0.02664 1.86592 A51 1.95607 0.00107 0.00000 0.00566 0.00564 1.96172 A52 1.86341 0.00321 0.00000 0.00892 0.00882 1.87223 A53 1.87540 0.00105 0.00000 0.00838 0.00836 1.88376 A54 1.85748 0.00217 0.00000 0.00584 0.00584 1.86331 D1 -1.12574 -0.00062 0.00000 -0.00815 -0.00822 -1.13396 D2 2.99471 0.00294 0.00000 0.01454 0.01467 3.00938 D3 1.03443 -0.00485 0.00000 -0.03440 -0.03466 0.99977 D4 3.10000 -0.00033 0.00000 -0.00557 -0.00557 3.09444 D5 0.93728 0.00324 0.00000 0.01712 0.01732 0.95460 D6 -1.02301 -0.00455 0.00000 -0.03181 -0.03201 -1.05501 D7 1.01439 0.00092 0.00000 0.00452 0.00458 1.01897 D8 -1.14834 0.00449 0.00000 0.02721 0.02747 -1.12087 D9 -3.10862 -0.00330 0.00000 -0.02172 -0.02186 -3.13048 D10 0.95813 -0.00047 0.00000 -0.00571 -0.00572 0.95241 D11 3.00670 -0.00009 0.00000 -0.00334 -0.00334 3.00336 D12 -1.10313 0.00034 0.00000 -0.00094 -0.00095 -1.10408 D13 3.09595 0.00196 0.00000 0.00682 0.00644 3.10239 D14 -1.13866 0.00234 0.00000 0.00920 0.00881 -1.12985 D15 1.03469 0.00276 0.00000 0.01159 0.01121 1.04590 D16 -1.16869 -0.00329 0.00000 -0.01949 -0.01909 -1.18778 D17 0.87989 -0.00291 0.00000 -0.01711 -0.01672 0.86317 D18 3.05324 -0.00249 0.00000 -0.01472 -0.01433 3.03891 D19 0.99505 0.00035 0.00000 0.00653 0.00651 1.00156 D20 -1.13652 -0.00314 0.00000 -0.01403 -0.01351 -1.15003 D21 3.12421 0.00312 0.00000 0.01915 0.01866 -3.14032 D22 -1.08417 0.00047 0.00000 0.00499 0.00497 -1.07920 D23 3.06744 -0.00303 0.00000 -0.01557 -0.01505 3.05240 D24 1.04498 0.00323 0.00000 0.01762 0.01712 1.06210 D25 3.12461 0.00045 0.00000 0.00640 0.00637 3.13097 D26 0.99303 -0.00305 0.00000 -0.01416 -0.01365 0.97939 D27 -1.02943 0.00321 0.00000 0.01902 0.01852 -1.01090 D28 1.22480 0.00016 0.00000 0.00274 0.00272 1.22752 D29 -0.87577 -0.00424 0.00000 -0.02498 -0.02429 -0.90006 D30 -2.93292 0.00387 0.00000 0.02299 0.02232 -2.91060 D31 -2.96248 0.00088 0.00000 0.00692 0.00690 -2.95558 D32 1.22013 -0.00352 0.00000 -0.02081 -0.02011 1.20002 D33 -0.83701 0.00459 0.00000 0.02717 0.02650 -0.81051 D34 -0.95590 -0.00021 0.00000 0.00022 0.00020 -0.95570 D35 -3.05647 -0.00461 0.00000 -0.02751 -0.02682 -3.08329 D36 1.16956 0.00349 0.00000 0.02047 0.01980 1.18936 D37 -0.68023 -0.00039 0.00000 0.00152 0.00163 -0.67860 D38 -2.86653 -0.00231 0.00000 -0.00507 -0.00451 -2.87104 D39 1.38636 0.00486 0.00000 0.03504 0.03438 1.42073 D40 -2.79468 -0.00072 0.00000 0.00049 0.00060 -2.79407 D41 1.30221 -0.00264 0.00000 -0.00609 -0.00554 1.29667 D42 -0.72809 0.00453 0.00000 0.03402 0.03335 -0.69474 D43 1.47281 -0.00051 0.00000 0.00289 0.00300 1.47581 D44 -0.71349 -0.00243 0.00000 -0.00370 -0.00314 -0.71663 D45 -2.74379 0.00474 0.00000 0.03641 0.03575 -2.70804 D46 -1.06967 -0.00084 0.00000 -0.00708 -0.00718 -1.07686 D47 -3.13282 -0.00005 0.00000 -0.00067 -0.00071 -3.13352 D48 1.09248 0.00037 0.00000 0.00286 0.00289 1.09537 D49 1.10048 -0.00451 0.00000 -0.02736 -0.02762 1.07287 D50 -0.96266 -0.00372 0.00000 -0.02095 -0.02114 -0.98380 D51 -3.02055 -0.00330 0.00000 -0.01743 -0.01754 -3.03809 D52 3.05852 0.00351 0.00000 0.02100 0.02115 3.07967 D53 0.99538 0.00430 0.00000 0.02741 0.02763 1.02301 D54 -1.06251 0.00471 0.00000 0.03094 0.03123 -1.03128 D55 -0.98303 -0.00066 0.00000 -0.00386 -0.00400 -0.98702 D56 -3.05524 0.00087 0.00000 0.00797 0.00792 -3.04732 D57 1.21101 -0.00028 0.00000 -0.00067 -0.00057 1.21044 D58 1.15823 -0.00417 0.00000 -0.02145 -0.02175 1.13648 D59 -0.91398 -0.00264 0.00000 -0.00962 -0.00983 -0.92381 D60 -2.93092 -0.00379 0.00000 -0.01826 -0.01832 -2.94924 D61 3.13364 0.00347 0.00000 0.02026 0.02038 -3.12917 D62 1.06144 0.00500 0.00000 0.03210 0.03229 1.09373 D63 -0.95551 0.00385 0.00000 0.02345 0.02380 -0.93170 D64 -1.05105 -0.00085 0.00000 -0.00150 -0.00135 -1.05241 D65 -3.13743 0.00018 0.00000 0.00734 0.00743 -3.13000 D66 1.10052 0.00093 0.00000 0.01354 0.01367 1.11420 D67 1.14331 -0.00439 0.00000 -0.02721 -0.02737 1.11594 D68 -0.94306 -0.00337 0.00000 -0.01838 -0.01858 -0.96165 D69 -2.98829 -0.00262 0.00000 -0.01217 -0.01234 -3.00064 D70 3.10282 0.00298 0.00000 0.01498 0.01506 3.11788 D71 1.01644 0.00401 0.00000 0.02381 0.02384 1.04029 D72 -1.02878 0.00476 0.00000 0.03002 0.03008 -0.99870 Item Value Threshold Converged? Maximum Force 0.023243 0.000450 NO RMS Force 0.008105 0.000300 NO Maximum Displacement 0.125004 0.001800 NO RMS Displacement 0.038582 0.001200 NO Predicted change in Energy=-1.860971D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.128102 3.344777 1.016610 2 6 0 -3.980473 2.334621 1.127051 3 1 0 -4.797551 4.313397 0.645041 4 1 0 -5.525606 3.506312 2.018881 5 1 0 -5.944856 2.993911 0.388085 6 7 0 -3.333791 1.925862 -0.165408 7 1 0 -4.338568 1.438387 1.624633 8 1 0 -3.210401 2.746893 1.775843 9 6 0 -2.857897 3.130600 -0.941834 10 6 0 -1.868705 4.071631 -0.243846 11 1 0 -3.728156 3.707267 -1.246365 12 1 0 -2.403526 2.762153 -1.862254 13 1 0 -2.282138 4.526616 0.655064 14 1 0 -1.643374 4.880029 -0.940188 15 1 0 -0.923343 3.591091 0.001398 16 6 0 -2.111963 1.090457 0.126394 17 6 0 -2.307556 -0.320202 0.687640 18 1 0 -1.505763 1.646301 0.837289 19 1 0 -1.537594 1.009637 -0.796881 20 1 0 -2.885648 -0.338549 1.610120 21 1 0 -1.315425 -0.711597 0.917241 22 1 0 -2.738547 -1.000561 -0.043154 23 6 0 -4.292270 1.208754 -1.086912 24 6 0 -5.304951 0.220276 -0.487428 25 1 0 -3.694266 0.713388 -1.851532 26 1 0 -4.882151 1.967178 -1.599866 27 1 0 -4.870393 -0.618442 0.043678 28 1 0 -5.881690 -0.186811 -1.319357 29 1 0 -6.015196 0.706924 0.178458 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.532861 0.000000 3 H 1.088831 2.194426 0.000000 4 H 1.090252 2.134398 1.751824 0.000000 5 H 1.088686 2.199894 1.767308 1.760062 0.000000 6 N 2.574887 1.501910 2.915432 3.474621 2.874847 7 H 2.151134 1.085843 3.071799 2.416775 2.555165 8 H 2.147435 1.088077 2.500339 2.448664 3.076383 9 C 3.005862 2.484762 2.771180 4.002956 3.364027 10 C 3.569417 3.058779 3.070294 4.337331 4.263311 11 H 2.685574 2.753348 2.255751 3.732699 2.845006 12 H 4.006323 3.406683 3.797926 5.036305 4.202232 13 H 3.102736 2.812820 2.524453 3.663482 3.979443 14 H 4.281284 4.026737 3.575311 5.070987 4.881034 15 H 4.332588 3.491684 3.993180 5.025758 5.071660 16 C 3.869307 2.457761 4.227140 4.590295 4.287503 17 C 4.636353 3.168568 5.260431 5.173998 4.929810 18 H 4.004786 2.584944 4.241017 4.584204 4.660834 19 H 4.651169 3.380053 4.860173 5.483259 4.976489 20 H 4.352901 2.928795 5.121265 4.681818 4.685874 21 H 5.567814 4.052893 6.119629 6.060527 5.953354 22 H 5.070999 3.746358 5.740319 5.686087 5.140252 23 C 3.112237 2.503283 3.590791 4.055347 2.844898 24 C 3.472163 2.971740 4.277100 4.138635 2.978096 25 H 4.148052 3.403273 4.517762 5.112174 3.909197 26 H 2.967191 2.895533 3.248309 3.984758 2.476989 27 H 4.089024 3.268981 4.968901 4.619991 3.784466 28 H 4.300785 3.994641 5.028528 4.990970 3.610588 29 H 2.906493 2.772963 3.834972 3.385768 2.297651 6 7 8 9 10 6 N 0.000000 7 H 2.109848 0.000000 8 H 2.111344 1.734305 0.000000 9 C 1.510200 3.412144 2.767175 0.000000 10 C 2.599414 4.065146 2.763010 1.533372 0.000000 11 H 2.120707 3.709859 3.213119 1.087490 2.143680 12 H 2.108094 4.201801 3.726531 1.090587 2.149421 13 H 2.922853 3.834857 2.298963 2.197828 1.089026 14 H 3.490687 5.068262 3.792449 2.129689 1.090492 15 H 2.934462 4.351182 3.015287 2.200963 1.088472 16 C 1.508612 2.706205 2.582833 2.420684 3.013909 17 C 2.612595 2.845277 3.377334 3.855657 4.510926 18 H 2.103625 2.947528 2.235615 2.682664 2.680076 19 H 2.112948 3.727333 3.526365 2.502537 3.129104 20 H 2.912197 2.295363 3.106909 4.306766 4.890916 21 H 3.493153 3.776536 4.035998 4.538486 4.953131 22 H 2.988848 3.360067 4.192232 4.229463 5.150149 23 C 1.510660 2.721645 3.425154 2.402491 3.844541 24 C 2.626441 2.622688 3.986644 3.829431 5.167210 25 H 2.107854 3.608943 4.186540 2.714769 4.146700 26 H 2.111112 3.312476 3.846832 2.425728 3.917700 27 H 2.979656 2.648170 4.132971 4.367687 5.575804 28 H 3.505250 3.699942 5.032164 4.504560 5.949379 29 H 2.965466 2.331854 3.818375 4.134948 5.356583 11 12 13 14 15 11 H 0.000000 12 H 1.739887 0.000000 13 H 2.525418 3.076517 0.000000 14 H 2.411521 2.431756 1.754351 0.000000 15 H 3.072033 2.520175 1.774488 1.751111 0.000000 16 C 3.368121 2.614249 3.480753 3.964597 2.771572 17 C 4.688176 4.001510 4.846994 5.489387 4.205376 18 H 3.678074 3.055918 2.988675 3.692608 2.195481 19 H 3.503970 2.226245 3.877065 3.874488 2.771003 20 H 5.023740 4.680190 4.994616 5.939771 4.677681 21 H 5.479856 4.580010 5.333118 5.901175 4.416517 22 H 4.958900 4.192777 5.589768 6.048588 4.937633 23 C 2.566363 2.565455 4.252449 4.529508 4.267273 24 C 3.901458 4.095065 5.383981 5.943521 5.549760 25 H 3.054617 2.421479 4.776802 4.732611 4.403696 26 H 2.117682 2.616183 4.288998 4.405628 4.568731 27 H 4.656252 4.598525 5.791760 6.450956 5.770716 28 H 4.450493 4.592250 6.250721 6.616643 6.371981 29 H 4.032708 4.629540 5.362176 6.146463 5.854634 16 17 18 19 20 16 C 0.000000 17 C 1.530756 0.000000 18 H 1.087112 2.128943 0.000000 19 H 1.090353 2.136613 1.754100 0.000000 20 H 2.200475 1.088805 2.537908 3.070588 0.000000 21 H 2.123043 1.090977 2.366918 2.439307 1.756373 22 H 2.189455 1.087521 3.049723 2.459937 1.786956 23 C 2.497967 3.070151 3.414471 2.777049 3.412728 24 C 3.365882 3.264549 4.268752 3.861584 3.250388 25 H 2.560870 3.072241 3.590212 2.418943 3.707218 26 H 3.379726 4.134408 4.176443 3.570396 4.427913 27 H 3.245938 2.659280 4.132749 3.803253 2.543874 28 H 4.234673 4.101252 5.211541 4.536038 4.192986 29 H 3.922376 3.880832 4.653114 4.592586 3.596769 21 22 23 24 25 21 H 0.000000 22 H 1.741016 0.000000 23 C 4.070133 2.895609 0.000000 24 C 4.331027 2.876499 1.536878 0.000000 25 H 3.918619 2.668567 1.089789 2.167544 0.000000 26 H 5.121835 3.978173 1.089169 2.113751 1.745392 27 H 3.661911 2.167562 2.225108 1.083679 2.597858 28 H 5.111610 3.488586 2.127884 1.091079 2.424540 29 H 4.964459 3.701493 2.195785 1.088430 3.083443 26 27 28 29 26 H 0.000000 27 H 3.063789 0.000000 28 H 2.391116 1.751254 0.000000 29 H 2.456515 1.756512 1.749296 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.843720 2.095563 -0.870683 2 6 0 -0.258863 0.692880 -1.070893 3 1 0 -1.867146 2.072262 -0.499724 4 1 0 -0.868182 2.586879 -1.843647 5 1 0 -0.247564 2.713671 -0.201521 6 7 0 -0.080981 -0.131994 0.171554 7 1 0 0.704954 0.773569 -1.564453 8 1 0 -0.898038 0.139959 -1.756199 9 6 0 -1.374786 -0.242145 0.942683 10 6 0 -2.585172 -0.828265 0.206030 11 1 0 -1.639088 0.746379 1.310922 12 1 0 -1.172920 -0.848714 1.826258 13 1 0 -2.882162 -0.233806 -0.656752 14 1 0 -3.422924 -0.824568 0.904121 15 1 0 -2.436109 -1.860474 -0.105574 16 6 0 0.314500 -1.536821 -0.210501 17 6 0 1.712570 -1.771518 -0.788023 18 1 0 -0.407562 -1.884709 -0.944947 19 1 0 0.205392 -2.164095 0.674650 20 1 0 1.916724 -1.172776 -1.674208 21 1 0 1.762157 -2.820129 -1.084987 22 1 0 2.495818 -1.630535 -0.046842 23 6 0 0.907604 0.483139 1.134054 24 6 0 2.170331 1.158731 0.576299 25 1 0 1.183118 -0.290104 1.850871 26 1 0 0.380683 1.252255 1.697174 27 1 0 2.823448 0.511549 0.002753 28 1 0 2.742115 1.519087 1.432838 29 1 0 1.939366 2.028875 -0.035407 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7001157 1.3420055 1.0287489 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 539.1772780765 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.816058391 A.U. after 10 cycles Convg = 0.9678D-08 -V/T = 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000028331 0.001904984 -0.002754751 2 6 -0.007391941 0.003589566 0.017230837 3 1 -0.001675087 -0.004407498 0.001869841 4 1 0.001910518 -0.001974857 -0.004507307 5 1 0.003345382 0.001784614 0.003053983 6 7 0.002521923 0.001149583 -0.002108233 7 1 0.002771981 0.002589251 -0.006289898 8 1 -0.001293555 -0.002518301 -0.007385025 9 6 0.005257656 0.017166397 -0.012130750 10 6 0.001281032 -0.001153635 0.002362401 11 1 0.002787674 -0.006219606 0.004623936 12 1 -0.003743704 -0.001896502 0.006968708 13 1 0.002386940 -0.002136581 -0.003850694 14 1 -0.002065260 -0.004171526 0.002481991 15 1 -0.004401969 0.002639100 -0.000728334 16 6 0.016474183 -0.010161304 0.005350532 17 6 -0.001108543 -0.002378603 -0.001365983 18 1 -0.005662156 -0.000021606 -0.005433292 19 1 -0.006419281 0.003410711 0.003751798 20 1 0.001918463 -0.001234180 -0.004849445 21 1 -0.004068137 0.003881166 -0.000256581 22 1 -0.000028681 0.003020635 0.004663715 23 6 -0.015314693 -0.007883945 -0.012276928 24 6 -0.001606173 -0.001034739 0.003942390 25 1 -0.000324123 0.003462562 0.006485951 26 1 0.007275649 -0.001791682 0.004285945 27 1 0.000109674 0.003322703 -0.002404915 28 1 0.003839621 0.002709982 0.002855041 29 1 0.003250939 -0.001646690 -0.003584934 ------------------------------------------------------------------- Cartesian Forces: Max 0.017230837 RMS 0.005439013 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.007206519 RMS 0.002596587 Search for a local minimum. Step number 2 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -1.76D-02 DEPred=-1.86D-02 R= 9.48D-01 SS= 1.41D+00 RLast= 3.00D-01 DXNew= 5.0454D-01 8.9951D-01 Trust test= 9.48D-01 RLast= 3.00D-01 DXMaxT set to 5.05D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00230 0.00230 0.00231 0.00246 Eigenvalues --- 0.00261 0.00323 0.00339 0.02858 0.03005 Eigenvalues --- 0.03012 0.03137 0.04132 0.04618 0.04639 Eigenvalues --- 0.04678 0.04703 0.04790 0.04871 0.05019 Eigenvalues --- 0.05061 0.05080 0.05423 0.05724 0.05762 Eigenvalues --- 0.05783 0.05939 0.08915 0.09109 0.09281 Eigenvalues --- 0.09751 0.12603 0.12723 0.12835 0.12902 Eigenvalues --- 0.13936 0.14825 0.15887 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16268 0.21945 Eigenvalues --- 0.21988 0.22061 0.22442 0.27251 0.28079 Eigenvalues --- 0.28347 0.29085 0.30560 0.31348 0.31499 Eigenvalues --- 0.31928 0.32098 0.32149 0.32190 0.32273 Eigenvalues --- 0.32420 0.32460 0.32485 0.32523 0.32542 Eigenvalues --- 0.32551 0.32654 0.32741 0.32794 0.32828 Eigenvalues --- 0.32852 0.32896 0.32931 0.32975 0.33674 Eigenvalues --- 0.360781000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.13181798D-03 EMin= 2.29963890D-03 Quartic linear search produced a step of 0.42041. Iteration 1 RMS(Cart)= 0.05806026 RMS(Int)= 0.00145422 Iteration 2 RMS(Cart)= 0.00186104 RMS(Int)= 0.00035173 Iteration 3 RMS(Cart)= 0.00000180 RMS(Int)= 0.00035173 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00035173 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89669 -0.00427 -0.00699 -0.01117 -0.01816 2.87852 R2 2.05759 -0.00507 -0.01508 -0.00061 -0.01569 2.04191 R3 2.06028 -0.00513 -0.01604 0.00030 -0.01574 2.04454 R4 2.05732 -0.00485 -0.01461 -0.00027 -0.01489 2.04243 R5 2.83820 0.00233 -0.00128 0.01207 0.01079 2.84899 R6 2.05195 -0.00593 -0.01839 0.00023 -0.01816 2.03379 R7 2.05617 -0.00627 -0.01850 -0.00126 -0.01976 2.03641 R8 2.85386 0.00399 0.00070 0.01691 0.01761 2.87148 R9 2.85086 0.00318 0.00036 0.01374 0.01410 2.86497 R10 2.85473 0.00354 0.00008 0.01586 0.01594 2.87067 R11 2.89765 -0.00464 -0.00715 -0.01288 -0.02003 2.87762 R12 2.05506 -0.00682 -0.01932 -0.00253 -0.02185 2.03320 R13 2.06091 -0.00680 -0.01933 -0.00267 -0.02201 2.03890 R14 2.05796 -0.00498 -0.01501 -0.00032 -0.01533 2.04263 R15 2.06073 -0.00510 -0.01588 0.00020 -0.01568 2.04505 R16 2.05691 -0.00515 -0.01516 -0.00085 -0.01600 2.04091 R17 2.89271 -0.00327 -0.00123 -0.01405 -0.01528 2.87743 R18 2.05434 -0.00672 -0.01920 -0.00222 -0.02141 2.03293 R19 2.06047 -0.00681 -0.01912 -0.00298 -0.02210 2.03837 R20 2.05754 -0.00511 -0.01559 -0.00009 -0.01568 2.04186 R21 2.06165 -0.00515 -0.01577 -0.00016 -0.01593 2.04572 R22 2.05512 -0.00501 -0.01499 -0.00041 -0.01540 2.03972 R23 2.90428 -0.00553 -0.00966 -0.01419 -0.02385 2.88043 R24 2.05940 -0.00630 -0.01891 -0.00097 -0.01989 2.03952 R25 2.05823 -0.00721 -0.01982 -0.00371 -0.02352 2.03471 R26 2.04786 -0.00371 -0.01248 0.00196 -0.01052 2.03734 R27 2.06184 -0.00522 -0.01549 -0.00085 -0.01634 2.04550 R28 2.05683 -0.00505 -0.01460 -0.00115 -0.01575 2.04109 A1 1.96443 0.00049 0.00536 -0.00205 0.00327 1.96770 A2 1.88008 -0.00151 -0.00874 -0.00088 -0.00960 1.87048 A3 1.97239 0.00063 0.00584 -0.00434 0.00145 1.97384 A4 1.86774 0.00061 0.00104 0.00490 0.00599 1.87373 A5 1.89383 -0.00025 -0.00236 0.00446 0.00201 1.89584 A6 1.88069 0.00001 -0.00165 -0.00165 -0.00330 1.87739 A7 2.02608 0.00026 0.00467 -0.01113 -0.00626 2.01982 A8 1.90714 0.00187 0.01131 0.00648 0.01742 1.92456 A9 1.89984 0.00202 0.01289 0.00669 0.01925 1.91909 A10 1.88778 -0.00268 -0.01663 -0.01192 -0.02863 1.85915 A11 1.88758 -0.00279 -0.01868 -0.00851 -0.02724 1.86034 A12 1.84720 0.00139 0.00729 0.02139 0.02713 1.87433 A13 1.94013 -0.00059 0.00148 -0.00315 -0.00159 1.93854 A14 1.91026 0.00009 -0.00026 -0.00695 -0.00741 1.90285 A15 1.96161 -0.00006 0.00066 -0.01035 -0.00986 1.95174 A16 1.86082 0.00082 0.00022 0.01758 0.01789 1.87871 A17 1.83901 0.00075 -0.00271 0.02065 0.01803 1.85704 A18 1.94871 -0.00096 0.00056 -0.01546 -0.01520 1.93351 A19 2.04747 -0.00013 0.00564 -0.01431 -0.00846 2.03901 A20 1.89106 -0.00286 -0.01842 -0.01304 -0.03160 1.85946 A21 1.87097 -0.00257 -0.01989 -0.00258 -0.02253 1.84843 A22 1.89472 0.00232 0.01447 0.00370 0.01772 1.91244 A23 1.89941 0.00219 0.01295 0.00970 0.02236 1.92177 A24 1.85065 0.00115 0.00611 0.02011 0.02448 1.87514 A25 1.96842 0.00071 0.00625 -0.00393 0.00228 1.97070 A26 1.87295 -0.00207 -0.01023 -0.00233 -0.01251 1.86044 A27 1.97351 0.00090 0.00626 -0.00142 0.00481 1.97832 A28 1.87110 0.00054 0.00012 0.00310 0.00325 1.87435 A29 1.90518 -0.00074 -0.00415 0.00114 -0.00309 1.90210 A30 1.86678 0.00064 0.00113 0.00408 0.00527 1.87205 A31 2.06888 -0.00157 0.00636 -0.02161 -0.01497 2.05391 A32 1.87022 -0.00209 -0.01946 0.00129 -0.01827 1.85195 A33 1.87958 -0.00258 -0.02083 -0.00783 -0.02880 1.85077 A34 1.87830 0.00303 0.01709 0.01172 0.02853 1.90682 A35 1.88543 0.00306 0.01562 0.00792 0.02305 1.90847 A36 1.87327 0.00027 0.00216 0.01157 0.01166 1.88493 A37 1.97578 0.00141 0.00844 -0.00580 0.00260 1.97838 A38 1.86667 -0.00260 -0.01260 0.00103 -0.01149 1.85518 A39 1.96144 0.00133 0.01028 -0.00412 0.00615 1.96759 A40 1.87390 0.00029 -0.00149 0.00266 0.00123 1.87513 A41 1.92663 -0.00206 -0.01004 -0.00790 -0.01805 1.90858 A42 1.85186 0.00160 0.00450 0.01646 0.02107 1.87294 A43 2.07767 -0.00197 0.00733 -0.02733 -0.02001 2.05765 A44 1.87089 -0.00177 -0.01833 -0.01205 -0.03088 1.84001 A45 1.87587 -0.00238 -0.02049 0.00792 -0.01255 1.86332 A46 1.92079 0.00195 0.00959 -0.00430 0.00433 1.92512 A47 1.84908 0.00398 0.01900 0.02644 0.04537 1.89445 A48 1.85800 0.00037 0.00364 0.01486 0.01688 1.87488 A49 2.00946 -0.00191 -0.00059 -0.01647 -0.01717 1.99229 A50 1.86592 -0.00209 -0.01120 -0.00196 -0.01328 1.85264 A51 1.96172 0.00012 0.00237 -0.00045 0.00193 1.96365 A52 1.87223 0.00164 0.00371 0.00410 0.00757 1.87980 A53 1.88376 0.00144 0.00351 0.00953 0.01306 1.89682 A54 1.86331 0.00105 0.00245 0.00693 0.00940 1.87271 D1 -1.13396 -0.00031 -0.00345 -0.02604 -0.02953 -1.16349 D2 3.00938 0.00156 0.00617 -0.00729 -0.00085 3.00853 D3 0.99977 -0.00220 -0.01457 -0.03990 -0.05481 0.94497 D4 3.09444 -0.00039 -0.00234 -0.03031 -0.03264 3.06180 D5 0.95460 0.00148 0.00728 -0.01156 -0.00396 0.95063 D6 -1.05501 -0.00228 -0.01346 -0.04417 -0.05792 -1.11293 D7 1.01897 0.00023 0.00193 -0.02507 -0.02312 0.99585 D8 -1.12087 0.00210 0.01155 -0.00632 0.00556 -1.11531 D9 -3.13048 -0.00167 -0.00919 -0.03893 -0.04840 3.10431 D10 0.95241 -0.00010 -0.00240 0.00202 -0.00039 0.95202 D11 3.00336 0.00061 -0.00141 0.01742 0.01602 3.01938 D12 -1.10408 -0.00062 -0.00040 -0.01520 -0.01563 -1.11972 D13 3.10239 0.00042 0.00271 -0.00687 -0.00434 3.09805 D14 -1.12985 0.00112 0.00371 0.00852 0.01207 -1.11777 D15 1.04590 -0.00010 0.00471 -0.02410 -0.01958 1.02632 D16 -1.18778 -0.00073 -0.00803 0.00777 -0.00007 -1.18785 D17 0.86317 -0.00003 -0.00703 0.02316 0.01634 0.87951 D18 3.03891 -0.00125 -0.00602 -0.00946 -0.01531 3.02360 D19 1.00156 0.00033 0.00274 0.06159 0.06437 1.06593 D20 -1.15003 -0.00031 -0.00568 0.07804 0.07255 -1.07748 D21 -3.14032 0.00104 0.00785 0.06234 0.06995 -3.07037 D22 -1.07920 0.00005 0.00209 0.06103 0.06326 -1.01594 D23 3.05240 -0.00058 -0.00633 0.07747 0.07144 3.12384 D24 1.06210 0.00077 0.00720 0.06178 0.06884 1.13094 D25 3.13097 0.00039 0.00268 0.06023 0.06285 -3.08936 D26 0.97939 -0.00024 -0.00574 0.07668 0.07104 1.05042 D27 -1.01090 0.00111 0.00779 0.06098 0.06843 -0.94247 D28 1.22752 -0.00012 0.00114 -0.03872 -0.03760 1.18992 D29 -0.90006 -0.00134 -0.01021 -0.04029 -0.05015 -0.95021 D30 -2.91060 0.00066 0.00938 -0.05050 -0.04131 -2.95191 D31 -2.95558 -0.00030 0.00290 -0.03606 -0.03320 -2.98878 D32 1.20002 -0.00152 -0.00846 -0.03764 -0.04574 1.15428 D33 -0.81051 0.00048 0.01114 -0.04784 -0.03691 -0.84742 D34 -0.95570 0.00058 0.00008 -0.00928 -0.00935 -0.96506 D35 -3.08329 -0.00064 -0.01127 -0.01086 -0.02189 -3.10518 D36 1.18936 0.00136 0.00832 -0.02106 -0.01306 1.17630 D37 -0.67860 -0.00057 0.00068 -0.04515 -0.04428 -0.72288 D38 -2.87104 -0.00014 -0.00190 -0.00703 -0.00895 -2.87999 D39 1.42073 0.00142 0.01445 -0.02213 -0.00803 1.41270 D40 -2.79407 -0.00030 0.00025 -0.04878 -0.04830 -2.84237 D41 1.29667 0.00012 -0.00233 -0.01066 -0.01297 1.28370 D42 -0.69474 0.00168 0.01402 -0.02576 -0.01206 -0.70679 D43 1.47581 -0.00123 0.00126 -0.07373 -0.07213 1.40368 D44 -0.71663 -0.00080 -0.00132 -0.03561 -0.03680 -0.75343 D45 -2.70804 0.00076 0.01503 -0.05071 -0.03588 -2.74392 D46 -1.07686 -0.00002 -0.00302 0.02726 0.02422 -1.05264 D47 -3.13352 0.00024 -0.00030 0.02720 0.02691 -3.10662 D48 1.09537 0.00028 0.00122 0.02450 0.02576 1.12113 D49 1.07287 -0.00202 -0.01161 0.00223 -0.00973 1.06313 D50 -0.98380 -0.00176 -0.00889 0.00217 -0.00704 -0.99084 D51 -3.03809 -0.00173 -0.00737 -0.00053 -0.00819 -3.04628 D52 3.07967 0.00173 0.00889 0.03310 0.04228 3.12195 D53 1.02301 0.00199 0.01162 0.03304 0.04497 1.06798 D54 -1.03128 0.00202 0.01313 0.03034 0.04382 -0.98746 D55 -0.98702 -0.00013 -0.00168 0.00480 0.00304 -0.98399 D56 -3.04732 0.00040 0.00333 0.00419 0.00746 -3.03985 D57 1.21044 -0.00068 -0.00024 -0.01411 -0.01433 1.19610 D58 1.13648 -0.00151 -0.00914 0.00100 -0.00854 1.12793 D59 -0.92381 -0.00099 -0.00413 0.00039 -0.00411 -0.92793 D60 -2.94924 -0.00206 -0.00770 -0.01791 -0.02591 -2.97516 D61 -3.12917 0.00191 0.00857 0.02455 0.03347 -3.09570 D62 1.09373 0.00244 0.01358 0.02394 0.03790 1.13162 D63 -0.93170 0.00136 0.01001 0.00564 0.01610 -0.91561 D64 -1.05241 0.00011 -0.00057 0.02970 0.02922 -1.02319 D65 -3.13000 0.00068 0.00313 0.03593 0.03901 -3.09099 D66 1.11420 0.00063 0.00575 0.02897 0.03474 1.14894 D67 1.11594 -0.00219 -0.01151 -0.01360 -0.02534 1.09060 D68 -0.96165 -0.00162 -0.00781 -0.00738 -0.01555 -0.97720 D69 -3.00064 -0.00167 -0.00519 -0.01434 -0.01982 -3.02046 D70 3.11788 0.00131 0.00633 0.01578 0.02245 3.14033 D71 1.04029 0.00188 0.01002 0.02201 0.03224 1.07253 D72 -0.99870 0.00183 0.01265 0.01505 0.02797 -0.97073 Item Value Threshold Converged? Maximum Force 0.007207 0.000450 NO RMS Force 0.002597 0.000300 NO Maximum Displacement 0.258840 0.001800 NO RMS Displacement 0.057957 0.001200 NO Predicted change in Energy=-3.121599D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.139698 3.343808 1.008669 2 6 0 -3.997925 2.341913 1.122010 3 1 0 -4.809263 4.318036 0.678160 4 1 0 -5.558737 3.463898 1.998892 5 1 0 -5.934107 3.009237 0.356655 6 7 0 -3.341272 1.948330 -0.176764 7 1 0 -4.345179 1.430889 1.577789 8 1 0 -3.219723 2.740832 1.751721 9 6 0 -2.863660 3.172199 -0.940293 10 6 0 -1.823298 4.047379 -0.254331 11 1 0 -3.739409 3.757642 -1.159239 12 1 0 -2.478231 2.803768 -1.878278 13 1 0 -2.170674 4.457474 0.683498 14 1 0 -1.631649 4.878966 -0.919821 15 1 0 -0.881693 3.544434 -0.090521 16 6 0 -2.127264 1.091155 0.123097 17 6 0 -2.366683 -0.295553 0.704681 18 1 0 -1.520068 1.661353 0.803897 19 1 0 -1.589267 1.000412 -0.807401 20 1 0 -2.942594 -0.283026 1.618827 21 1 0 -1.390194 -0.698142 0.941954 22 1 0 -2.829259 -0.969392 -0.000307 23 6 0 -4.303377 1.217030 -1.097199 24 6 0 -5.238989 0.185895 -0.476921 25 1 0 -3.684364 0.755343 -1.851176 26 1 0 -4.898711 1.969739 -1.585393 27 1 0 -4.733421 -0.615288 0.037699 28 1 0 -5.794447 -0.248987 -1.297899 29 1 0 -5.956746 0.630958 0.196394 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523249 0.000000 3 H 1.080530 2.181820 0.000000 4 H 1.081923 2.112796 1.742296 0.000000 5 H 1.080808 2.186297 1.755447 1.744868 0.000000 6 N 2.566505 1.507619 2.915716 3.456526 2.851815 7 H 2.148119 1.076236 3.059465 2.404823 2.550890 8 H 2.145230 1.077622 2.483293 2.460671 3.063679 9 C 3.001375 2.495801 2.778076 3.998416 3.337105 10 C 3.617830 3.087383 3.139870 4.401246 4.283666 11 H 2.613789 2.697261 2.198787 3.656505 2.770333 12 H 3.963523 3.394777 3.776519 4.995772 4.120706 13 H 3.187647 2.829618 2.642276 3.767814 4.045694 14 H 4.287446 4.025540 3.600752 5.093458 4.861730 15 H 4.402168 3.553476 4.076167 5.123170 5.100323 16 C 3.864382 2.462031 4.232491 4.574224 4.269150 17 C 4.585517 3.129111 5.220355 5.098790 4.875374 18 H 3.996788 2.589234 4.229962 4.581269 4.636869 19 H 4.625493 3.365098 4.856120 5.449838 4.926260 20 H 4.284097 2.872430 5.053621 4.585640 4.623984 21 H 5.513673 4.009316 6.076320 5.984684 5.893588 22 H 4.995984 3.686477 5.686619 5.576818 5.059347 23 C 3.107619 2.506701 3.608887 4.026180 2.825770 24 C 3.491311 2.957235 4.312015 4.120339 3.024781 25 H 4.122725 3.384577 4.511732 5.066810 3.875035 26 H 2.945386 2.877492 3.262848 3.938940 2.433958 27 H 4.096619 3.234459 4.975302 4.600780 3.831522 28 H 4.319390 3.974446 5.072781 4.970906 3.656922 29 H 2.947357 2.760636 3.891447 3.381266 2.383780 6 7 8 9 10 6 N 0.000000 7 H 2.086631 0.000000 8 H 2.088514 1.735758 0.000000 9 C 1.519521 3.401146 2.749509 0.000000 10 C 2.591577 4.069713 2.771518 1.522773 0.000000 11 H 2.096993 3.643083 3.126925 1.075926 2.138758 12 H 2.090876 4.161092 3.705491 1.078941 2.147722 13 H 2.899337 3.832550 2.277820 2.183772 1.080912 14 H 3.473265 5.048815 3.772364 2.105071 1.082194 15 H 2.933346 4.387034 3.083183 2.188348 1.080004 16 C 1.516074 2.674079 2.562678 2.450270 2.995682 17 C 2.600342 2.767194 3.323192 3.870172 4.480628 18 H 2.088262 2.938244 2.225416 2.670223 2.627720 19 H 2.089444 3.670081 3.498079 2.521587 3.105586 20 H 2.891719 2.215048 3.039438 4.300454 4.849119 21 H 3.473046 3.697161 3.978624 4.549010 4.913110 22 H 2.967557 3.248038 4.121629 4.247062 5.122937 23 C 1.519093 2.683848 3.407730 2.433123 3.856435 24 C 2.607221 2.563346 3.946136 3.843815 5.160189 25 H 2.084366 3.556802 4.139918 2.710065 4.104994 26 H 2.100074 3.256144 3.814435 2.450203 3.942903 27 H 2.925100 2.590260 4.061120 4.335612 5.504050 28 H 3.478967 3.632072 4.986824 4.519061 5.942880 29 H 2.952189 2.268323 3.789710 4.161387 5.381494 11 12 13 14 15 11 H 0.000000 12 H 1.737085 0.000000 13 H 2.519200 3.064642 0.000000 14 H 2.399445 2.437579 1.743225 0.000000 15 H 3.058456 2.508704 1.759039 1.741020 0.000000 16 C 3.369503 2.657390 3.412922 3.959902 2.759648 17 C 4.667651 4.036076 4.757113 5.473110 4.193214 18 H 3.629573 3.068753 2.873338 3.651942 2.180252 19 H 3.514146 2.277966 3.809474 3.880415 2.736170 20 H 4.967853 4.687608 4.893163 5.899955 4.671042 21 H 5.457823 4.626111 5.220759 5.884611 4.395911 22 H 4.951399 4.229271 5.509283 6.040122 4.916887 23 C 2.603194 2.541452 4.268463 4.536449 4.258888 24 C 3.933405 4.054484 5.385863 5.935822 5.514991 25 H 3.081494 2.377295 4.735145 4.699503 4.328267 26 H 2.173060 2.576841 4.333460 4.424961 4.566261 27 H 4.641470 4.521813 5.719934 6.381588 5.670585 28 H 4.505052 4.544606 6.261665 6.615719 6.323208 29 H 4.065769 4.596241 5.404982 6.164249 5.858910 16 17 18 19 20 16 C 0.000000 17 C 1.522669 0.000000 18 H 1.075779 2.134498 0.000000 19 H 1.078658 2.137825 1.742961 0.000000 20 H 2.188686 1.080505 2.543286 3.060276 0.000000 21 H 2.101281 1.082547 2.367097 2.446418 1.743681 22 H 2.180340 1.079372 3.046563 2.463557 1.762253 23 C 2.498086 3.047205 3.399764 2.738120 3.388022 24 C 3.295808 3.142947 4.200934 3.754082 3.144118 25 H 2.536746 3.061547 3.543225 2.353499 3.697208 26 H 3.372205 4.097212 4.149583 3.535150 4.378169 27 H 3.116295 2.479626 4.011956 3.634610 2.411933 28 H 4.154930 3.970146 5.131985 4.414196 4.079401 29 H 3.857731 3.742369 4.595094 4.496552 3.455979 21 22 23 24 25 21 H 0.000000 22 H 1.741361 0.000000 23 C 4.038893 2.855982 0.000000 24 C 4.196183 2.714525 1.524255 0.000000 25 H 3.895819 2.670511 1.079265 2.151675 0.000000 26 H 5.080823 3.928564 1.076720 2.127580 1.737825 27 H 3.464348 1.937180 2.197799 1.078113 2.558711 28 H 4.961464 3.315881 2.100662 1.082433 2.401509 29 H 4.814121 3.518662 2.179562 1.080097 3.061329 26 27 28 29 26 H 0.000000 27 H 3.056814 0.000000 28 H 2.409926 1.744642 0.000000 29 H 2.467091 1.753521 1.741711 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.799316 2.124611 -0.847043 2 6 0 -0.238295 0.724596 -1.060355 3 1 0 -1.830952 2.116722 -0.525781 4 1 0 -0.762438 2.632364 -1.801707 5 1 0 -0.223340 2.709532 -0.144004 6 7 0 -0.100292 -0.121140 0.180048 7 1 0 0.740626 0.778855 -1.504260 8 1 0 -0.869638 0.174832 -1.738909 9 6 0 -1.420512 -0.215759 0.926381 10 6 0 -2.587968 -0.847597 0.180281 11 1 0 -1.679674 0.786758 1.218632 12 1 0 -1.211720 -0.771426 1.827355 13 1 0 -2.848786 -0.313686 -0.722649 14 1 0 -3.441737 -0.798075 0.843432 15 1 0 -2.429143 -1.888375 -0.060476 16 6 0 0.301887 -1.526465 -0.222189 17 6 0 1.693751 -1.723766 -0.807260 18 1 0 -0.432837 -1.854338 -0.936319 19 1 0 0.197954 -2.131606 0.664662 20 1 0 1.883937 -1.110504 -1.676301 21 1 0 1.747020 -2.758120 -1.122189 22 1 0 2.477270 -1.568291 -0.081333 23 6 0 0.903186 0.468005 1.156565 24 6 0 2.194443 1.046691 0.589880 25 1 0 1.123030 -0.324560 1.855365 26 1 0 0.389774 1.243260 1.699441 27 1 0 2.783915 0.341425 0.026451 28 1 0 2.783041 1.360941 1.442206 29 1 0 2.022685 1.920370 -0.021507 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7310961 1.3408262 1.0371915 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 541.3789557224 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.817580745 A.U. after 11 cycles Convg = 0.2506D-08 -V/T = 2.0004 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000917316 -0.000560017 -0.000016714 2 6 -0.001266952 0.000868812 0.001360212 3 1 0.000158245 0.000923611 0.000335106 4 1 -0.000913208 0.000339114 0.000821165 5 1 -0.000955946 -0.000457404 -0.000587500 6 7 0.000071494 -0.001119873 0.001803119 7 1 -0.000131172 0.000386650 0.000546642 8 1 0.000940316 0.000359860 0.000651377 9 6 -0.000076344 -0.000119670 -0.000160137 10 6 -0.000596145 -0.000966817 -0.000102101 11 1 -0.001458271 -0.000086815 -0.000753559 12 1 0.000632034 -0.001294468 -0.001078201 13 1 -0.000306170 0.000638464 0.000896206 14 1 0.000401338 0.001136325 -0.000252642 15 1 0.000822866 -0.000212061 -0.000237491 16 6 -0.000373301 -0.001189198 0.000077337 17 6 0.002566775 -0.000094493 -0.000860786 18 1 0.000573876 0.000798480 0.000845782 19 1 0.000880737 0.000392084 -0.001788493 20 1 -0.000033955 -0.000426240 0.000898021 21 1 0.000699765 -0.000529601 0.000716336 22 1 0.002935610 -0.000414838 0.000456874 23 6 0.000978628 -0.001422247 -0.000471739 24 6 -0.001298095 0.000140080 0.000553628 25 1 0.000811728 -0.000302830 -0.001308030 26 1 -0.000108167 0.002171663 -0.000621113 27 1 -0.003463784 0.001486138 -0.001297872 28 1 -0.001129744 -0.000744642 -0.000481003 29 1 -0.001279475 0.000299933 0.000055577 ------------------------------------------------------------------- Cartesian Forces: Max 0.003463784 RMS 0.000989591 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.014802465 RMS 0.002408729 Search for a local minimum. Step number 3 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 3 DE= -1.52D-03 DEPred=-3.12D-03 R= 4.88D-01 Trust test= 4.88D-01 RLast= 3.49D-01 DXMaxT set to 5.05D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.00213 0.00230 0.00230 0.00234 0.00258 Eigenvalues --- 0.00294 0.00323 0.00338 0.03086 0.03103 Eigenvalues --- 0.03171 0.03228 0.04084 0.04634 0.04672 Eigenvalues --- 0.04687 0.04734 0.04952 0.04991 0.05020 Eigenvalues --- 0.05049 0.05208 0.05485 0.05777 0.05837 Eigenvalues --- 0.05888 0.06016 0.08072 0.08836 0.09000 Eigenvalues --- 0.09097 0.12509 0.12621 0.12718 0.12749 Eigenvalues --- 0.14449 0.14828 0.15826 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16097 0.16304 0.20964 Eigenvalues --- 0.22023 0.22143 0.22253 0.27842 0.28343 Eigenvalues --- 0.28747 0.29316 0.29755 0.31379 0.31737 Eigenvalues --- 0.31934 0.32099 0.32151 0.32216 0.32316 Eigenvalues --- 0.32430 0.32460 0.32503 0.32524 0.32547 Eigenvalues --- 0.32552 0.32710 0.32741 0.32794 0.32828 Eigenvalues --- 0.32852 0.32897 0.32931 0.33000 0.33798 Eigenvalues --- 0.427011000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-5.82812117D-03 EMin= 2.13408530D-03 Quartic linear search produced a step of -0.31809. Maximum step size ( 0.505) exceeded in Quadratic search. -- Step size scaled by 0.859 Iteration 1 RMS(Cart)= 0.11199827 RMS(Int)= 0.00490360 Iteration 2 RMS(Cart)= 0.00703876 RMS(Int)= 0.00015919 Iteration 3 RMS(Cart)= 0.00001463 RMS(Int)= 0.00015848 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00015848 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87852 0.00072 0.00578 -0.01655 -0.01077 2.86775 R2 2.04191 0.00078 0.00499 -0.01592 -0.01093 2.03098 R3 2.04454 0.00114 0.00501 -0.01545 -0.01044 2.03410 R4 2.04243 0.00120 0.00474 -0.01431 -0.00957 2.03286 R5 2.84899 0.00371 -0.00343 0.01689 0.01346 2.86244 R6 2.03379 -0.00005 0.00578 -0.02040 -0.01463 2.01917 R7 2.03641 0.00119 0.00628 -0.01953 -0.01325 2.02317 R8 2.87148 -0.00006 -0.00560 0.01629 0.01069 2.88217 R9 2.86497 0.00670 -0.00449 0.02623 0.02174 2.88671 R10 2.87067 0.00486 -0.00507 0.02432 0.01926 2.88993 R11 2.87762 0.00070 0.00637 -0.01833 -0.01196 2.86566 R12 2.03320 0.00129 0.00695 -0.02143 -0.01448 2.01873 R13 2.03890 0.00161 0.00700 -0.02095 -0.01395 2.02495 R14 2.04263 0.00112 0.00488 -0.01494 -0.01006 2.03257 R15 2.04505 0.00110 0.00499 -0.01545 -0.01046 2.03459 R16 2.04091 0.00078 0.00509 -0.01623 -0.01114 2.02978 R17 2.87743 0.00083 0.00486 -0.01260 -0.00774 2.86969 R18 2.03293 0.00128 0.00681 -0.02103 -0.01421 2.01871 R19 2.03837 0.00195 0.00703 -0.02034 -0.01331 2.02506 R20 2.04186 0.00077 0.00499 -0.01602 -0.01103 2.03083 R21 2.04572 0.00099 0.00507 -0.01587 -0.01080 2.03491 R22 2.03972 -0.00130 0.00490 -0.01953 -0.01464 2.02508 R23 2.88043 0.00313 0.00759 -0.01692 -0.00933 2.87110 R24 2.03952 0.00151 0.00633 -0.01911 -0.01278 2.02674 R25 2.03471 0.00186 0.00748 -0.02196 -0.01448 2.02023 R26 2.03734 -0.00335 0.00335 -0.01825 -0.01490 2.02244 R27 2.04550 0.00124 0.00520 -0.01570 -0.01051 2.03499 R28 2.04109 0.00101 0.00501 -0.01546 -0.01045 2.03064 A1 1.96770 0.00020 -0.00104 0.00501 0.00396 1.97166 A2 1.87048 0.00064 0.00305 -0.00850 -0.00544 1.86504 A3 1.97384 -0.00014 -0.00046 0.00218 0.00172 1.97556 A4 1.87373 -0.00048 -0.00190 0.00340 0.00150 1.87522 A5 1.89584 0.00011 -0.00064 0.00248 0.00183 1.89767 A6 1.87739 -0.00038 0.00105 -0.00516 -0.00411 1.87328 A7 2.01982 0.00075 0.00199 -0.00209 -0.00007 2.01975 A8 1.92456 -0.00060 -0.00554 0.01498 0.00945 1.93400 A9 1.91909 -0.00003 -0.00612 0.02019 0.01408 1.93317 A10 1.85915 0.00015 0.00911 -0.02777 -0.01869 1.84046 A11 1.86034 -0.00030 0.00867 -0.02857 -0.01992 1.84042 A12 1.87433 0.00001 -0.00863 0.02311 0.01436 1.88869 A13 1.93854 0.00284 0.00051 -0.00629 -0.00590 1.93263 A14 1.90285 -0.00080 0.00236 0.00467 0.00675 1.90960 A15 1.95174 -0.00129 0.00314 -0.00404 -0.00140 1.95034 A16 1.87871 -0.00362 -0.00569 -0.01088 -0.01630 1.86241 A17 1.85704 -0.00400 -0.00574 -0.01643 -0.02203 1.83501 A18 1.93351 0.00682 0.00484 0.03254 0.03731 1.97082 A19 2.03901 0.00056 0.00269 -0.00501 -0.00225 2.03676 A20 1.85946 -0.00063 0.01005 -0.03489 -0.02484 1.83462 A21 1.84843 -0.00064 0.00717 -0.02866 -0.02151 1.82692 A22 1.91244 0.00036 -0.00564 0.02245 0.01677 1.92920 A23 1.92177 0.00022 -0.00711 0.02402 0.01684 1.93861 A24 1.87514 0.00004 -0.00779 0.02187 0.01373 1.88887 A25 1.97070 0.00011 -0.00073 0.00392 0.00319 1.97389 A26 1.86044 0.00065 0.00398 -0.01130 -0.00732 1.85312 A27 1.97832 -0.00007 -0.00153 0.00554 0.00400 1.98232 A28 1.87435 -0.00045 -0.00103 0.00096 -0.00007 1.87429 A29 1.90210 0.00007 0.00098 -0.00286 -0.00189 1.90021 A30 1.87205 -0.00035 -0.00168 0.00339 0.00172 1.87377 A31 2.05391 0.01480 0.00476 0.03177 0.03655 2.09046 A32 1.85195 -0.00536 0.00581 -0.03882 -0.03334 1.81861 A33 1.85077 -0.00430 0.00916 -0.03532 -0.02668 1.82410 A34 1.90682 -0.00396 -0.00907 0.01557 0.00697 1.91379 A35 1.90847 -0.00380 -0.00733 0.01939 0.01243 1.92090 A36 1.88493 0.00201 -0.00371 0.00358 -0.00054 1.88439 A37 1.97838 0.00071 -0.00083 0.00920 0.00834 1.98672 A38 1.85518 -0.00011 0.00365 -0.01703 -0.01335 1.84184 A39 1.96759 0.00086 -0.00196 0.01234 0.01036 1.97794 A40 1.87513 -0.00064 -0.00039 -0.00392 -0.00429 1.87084 A41 1.90858 0.00008 0.00574 -0.01228 -0.00661 1.90198 A42 1.87294 -0.00110 -0.00670 0.01119 0.00453 1.87746 A43 2.05765 0.00915 0.00637 0.01071 0.01705 2.07470 A44 1.84001 -0.00295 0.00982 -0.02257 -0.01315 1.82686 A45 1.86332 -0.00371 0.00399 -0.04317 -0.03932 1.82400 A46 1.92512 -0.00012 -0.00138 0.02764 0.02649 1.95162 A47 1.89445 -0.00402 -0.01443 0.01568 0.00140 1.89585 A48 1.87488 0.00115 -0.00537 0.00954 0.00387 1.87875 A49 1.99229 0.00310 0.00546 -0.00214 0.00334 1.99563 A50 1.85264 0.00030 0.00422 -0.01469 -0.01045 1.84219 A51 1.96365 -0.00048 -0.00061 -0.00004 -0.00068 1.96297 A52 1.87980 -0.00137 -0.00241 0.00350 0.00116 1.88096 A53 1.89682 -0.00109 -0.00415 0.01079 0.00662 1.90343 A54 1.87271 -0.00069 -0.00299 0.00230 -0.00072 1.87199 D1 -1.16349 -0.00016 0.00939 -0.02575 -0.01636 -1.17986 D2 3.00853 -0.00043 0.00027 0.00076 0.00103 3.00956 D3 0.94497 -0.00005 0.01743 -0.04918 -0.03176 0.91321 D4 3.06180 -0.00010 0.01038 -0.02736 -0.01698 3.04482 D5 0.95063 -0.00036 0.00126 -0.00085 0.00042 0.95105 D6 -1.11293 0.00001 0.01842 -0.05078 -0.03237 -1.14530 D7 0.99585 0.00003 0.00735 -0.01673 -0.00937 0.98648 D8 -1.11531 -0.00023 -0.00177 0.00978 0.00802 -1.10729 D9 3.10431 0.00014 0.01539 -0.04015 -0.02477 3.07954 D10 0.95202 -0.00006 0.00012 0.00039 0.00050 0.95252 D11 3.01938 -0.00330 -0.00510 -0.01383 -0.01884 3.00054 D12 -1.11972 0.00393 0.00497 0.02800 0.03288 -1.08683 D13 3.09805 -0.00023 0.00138 -0.00290 -0.00156 3.09649 D14 -1.11777 -0.00347 -0.00384 -0.01712 -0.02090 -1.13868 D15 1.02632 0.00377 0.00623 0.02471 0.03082 1.05713 D16 -1.18785 -0.00029 0.00002 -0.00254 -0.00249 -1.19034 D17 0.87951 -0.00353 -0.00520 -0.01676 -0.02183 0.85768 D18 3.02360 0.00371 0.00487 0.02507 0.02988 3.05348 D19 1.06593 0.00012 -0.02047 0.01409 -0.00640 1.05953 D20 -1.07748 -0.00024 -0.02308 0.01575 -0.00727 -1.08475 D21 -3.07037 0.00028 -0.02225 0.01949 -0.00281 -3.07318 D22 -1.01594 0.00168 -0.02012 0.01879 -0.00128 -1.01723 D23 3.12384 0.00132 -0.02273 0.02045 -0.00216 3.12168 D24 1.13094 0.00184 -0.02190 0.02419 0.00230 1.13324 D25 -3.08936 -0.00234 -0.01999 -0.00501 -0.02507 -3.11443 D26 1.05042 -0.00269 -0.02260 -0.00335 -0.02595 1.02448 D27 -0.94247 -0.00218 -0.02177 0.00039 -0.02149 -0.96396 D28 1.18992 0.00027 0.01196 0.00266 0.01477 1.20469 D29 -0.95021 -0.00022 0.01595 -0.00807 0.00840 -0.94181 D30 -2.95191 0.00184 0.01314 0.02122 0.03412 -2.91779 D31 -2.98878 0.00111 0.01056 -0.00864 0.00197 -2.98681 D32 1.15428 0.00061 0.01455 -0.01936 -0.00440 1.14987 D33 -0.84742 0.00268 0.01174 0.00992 0.02132 -0.82610 D34 -0.96506 -0.00209 0.00297 -0.01707 -0.01426 -0.97932 D35 -3.10518 -0.00259 0.00696 -0.02779 -0.02063 -3.12582 D36 1.17630 -0.00053 0.00415 0.00149 0.00509 1.18139 D37 -0.72288 0.00297 0.01408 0.13772 0.15170 -0.57118 D38 -2.87999 -0.00071 0.00285 0.11237 0.11548 -2.76452 D39 1.41270 0.00093 0.00256 0.13064 0.13303 1.54573 D40 -2.84237 0.00283 0.01536 0.15850 0.17364 -2.66873 D41 1.28370 -0.00085 0.00413 0.13315 0.13742 1.42112 D42 -0.70679 0.00080 0.00383 0.15142 0.15497 -0.55182 D43 1.40368 0.00587 0.02294 0.16392 0.18688 1.59056 D44 -0.75343 0.00219 0.01170 0.13856 0.15066 -0.60277 D45 -2.74392 0.00384 0.01141 0.15683 0.16821 -2.57571 D46 -1.05264 -0.00002 -0.00770 0.01620 0.00849 -1.04415 D47 -3.10662 0.00005 -0.00856 0.02000 0.01144 -3.09518 D48 1.12113 0.00010 -0.00819 0.02000 0.01181 1.13294 D49 1.06313 -0.00016 0.00310 -0.01583 -0.01280 1.05034 D50 -0.99084 -0.00008 0.00224 -0.01203 -0.00985 -1.00069 D51 -3.04628 -0.00003 0.00261 -0.01202 -0.00948 -3.05575 D52 3.12195 0.00024 -0.01345 0.03876 0.02536 -3.13587 D53 1.06798 0.00032 -0.01431 0.04255 0.02831 1.09629 D54 -0.98746 0.00037 -0.01394 0.04256 0.02868 -0.95877 D55 -0.98399 0.00046 -0.00097 0.03946 0.03853 -0.94546 D56 -3.03985 0.00092 -0.00237 0.05007 0.04774 -2.99211 D57 1.19610 0.00185 0.00456 0.04036 0.04500 1.24111 D58 1.12793 0.00072 0.00272 0.02317 0.02606 1.15400 D59 -0.92793 0.00117 0.00131 0.03378 0.03528 -0.89265 D60 -2.97516 0.00211 0.00824 0.02407 0.03254 -2.94262 D61 -3.09570 -0.00137 -0.01065 0.04787 0.03695 -3.05875 D62 1.13162 -0.00092 -0.01205 0.05848 0.04617 1.17779 D63 -0.91561 0.00002 -0.00512 0.04877 0.04343 -0.87218 D64 -1.02319 -0.00154 -0.00929 -0.00696 -0.01641 -1.03959 D65 -3.09099 -0.00182 -0.01241 -0.00027 -0.01278 -3.10377 D66 1.14894 -0.00092 -0.01105 0.00598 -0.00520 1.14374 D67 1.09060 0.00123 0.00806 -0.00631 0.00191 1.09251 D68 -0.97720 0.00095 0.00495 0.00038 0.00553 -0.97166 D69 -3.02046 0.00186 0.00631 0.00663 0.01311 -3.00735 D70 3.14033 0.00018 -0.00714 0.03024 0.02302 -3.11983 D71 1.07253 -0.00010 -0.01026 0.03693 0.02665 1.09918 D72 -0.97073 0.00081 -0.00890 0.04318 0.03423 -0.93650 Item Value Threshold Converged? Maximum Force 0.014802 0.000450 NO RMS Force 0.002409 0.000300 NO Maximum Displacement 0.576425 0.001800 NO RMS Displacement 0.112135 0.001200 NO Predicted change in Energy=-4.060717D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.144532 3.290879 1.012563 2 6 0 -3.994298 2.308526 1.134601 3 1 0 -4.830364 4.266402 0.688936 4 1 0 -5.568958 3.398323 1.995899 5 1 0 -5.928315 2.946641 0.361097 6 7 0 -3.330936 1.907957 -0.166911 7 1 0 -4.321556 1.394310 1.580466 8 1 0 -3.210890 2.714822 1.740744 9 6 0 -2.870595 3.139635 -0.939710 10 6 0 -1.853732 4.032582 -0.255432 11 1 0 -3.764238 3.684583 -1.153297 12 1 0 -2.485267 2.753163 -1.861882 13 1 0 -2.205649 4.434441 0.678137 14 1 0 -1.687547 4.862579 -0.920776 15 1 0 -0.904470 3.556889 -0.093156 16 6 0 -2.079617 1.084820 0.133325 17 6 0 -2.216781 -0.309610 0.718830 18 1 0 -1.514762 1.700138 0.799282 19 1 0 -1.556219 1.041405 -0.800768 20 1 0 -2.803751 -0.347075 1.618258 21 1 0 -1.216719 -0.612895 0.978557 22 1 0 -2.601494 -1.026680 0.021556 23 6 0 -4.305351 1.190749 -1.102237 24 6 0 -5.398173 0.324599 -0.499034 25 1 0 -3.679223 0.633832 -1.771615 26 1 0 -4.763519 1.975891 -1.664836 27 1 0 -5.038452 -0.482823 0.104339 28 1 0 -5.925018 -0.100357 -1.336592 29 1 0 -6.109474 0.896575 0.068056 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517547 0.000000 3 H 1.074746 2.175063 0.000000 4 H 1.076397 2.099773 1.734137 0.000000 5 H 1.075743 2.178513 1.747782 1.733704 0.000000 6 N 2.567637 1.514740 2.922844 3.450750 2.846758 7 H 2.144011 1.068496 3.050020 2.396804 2.545244 8 H 2.145008 1.070613 2.477175 2.468352 3.056397 9 C 3.000839 2.501243 2.786178 3.995733 3.328513 10 C 3.603790 3.080030 3.131588 4.390180 4.261643 11 H 2.598300 2.679728 2.206572 3.640933 2.742477 12 H 3.952628 3.384345 3.781011 4.980749 4.102883 13 H 3.171215 2.815518 2.630111 3.757909 4.021480 14 H 4.261313 4.008599 3.581048 5.071133 4.826814 15 H 4.389932 3.551455 4.065430 5.113388 5.081118 16 C 3.877301 2.483146 4.242379 4.582246 4.281441 17 C 4.649896 3.191719 5.269876 5.159144 4.950417 18 H 3.968775 2.575009 4.194175 4.555461 4.607084 19 H 4.606983 3.360874 4.831133 5.429409 4.908673 20 H 4.368161 2.950177 5.123960 4.670866 4.710830 21 H 5.537900 4.034104 6.078639 6.005568 5.937229 22 H 5.107881 3.781847 5.781865 5.681947 5.193294 23 C 3.096312 2.519846 3.597719 4.008557 2.803305 24 C 3.338874 2.928412 4.155898 3.962530 2.809979 25 H 4.118092 3.368971 4.535968 5.040603 3.867295 26 H 3.007130 2.922191 3.284989 4.009118 2.530517 27 H 3.882905 3.153304 4.789592 4.350027 3.552324 28 H 4.198591 3.954389 4.936558 4.844897 3.488030 29 H 2.748800 2.757733 3.657505 3.204291 2.078813 6 7 8 9 10 6 N 0.000000 7 H 2.073279 0.000000 8 H 2.074750 1.732922 0.000000 9 C 1.525176 3.391568 2.735160 0.000000 10 C 2.589208 4.052303 2.750108 1.516444 0.000000 11 H 2.077765 3.609629 3.101952 1.068263 2.139463 12 H 2.074237 4.131368 3.675176 1.071560 2.148588 13 H 2.891971 3.812303 2.257595 2.176259 1.075587 14 H 3.463933 5.022261 3.743946 2.090096 1.076659 15 H 2.934647 4.376555 3.064611 2.180917 1.074111 16 C 1.527579 2.686315 2.553523 2.449350 2.981854 17 C 2.635050 2.841802 3.343613 3.882721 4.464933 18 H 2.067657 2.929483 2.189243 2.633349 2.582173 19 H 2.074200 3.666320 3.463747 2.479810 3.055003 20 H 2.924025 2.310320 3.091274 4.324906 4.857432 21 H 3.483778 3.745821 3.953650 4.527311 4.848605 22 H 3.029802 3.354102 4.162428 4.284230 5.121718 23 C 1.529283 2.690464 3.406344 2.425509 3.847535 24 C 2.625033 2.574434 3.938779 3.808842 5.135324 25 H 2.078407 3.496765 4.109321 2.761339 4.145206 26 H 2.073810 3.326493 3.815056 2.337364 3.831875 27 H 2.950427 2.493295 4.030228 4.348775 5.537216 28 H 3.482921 3.648883 4.976114 4.470409 5.901310 29 H 2.966205 2.394113 3.808634 4.066601 5.296275 11 12 13 14 15 11 H 0.000000 12 H 1.733610 0.000000 13 H 2.519055 3.058853 0.000000 14 H 2.398831 2.443701 1.734432 0.000000 15 H 3.052618 2.504653 1.748731 1.732914 0.000000 16 C 3.354418 2.632256 3.395978 3.941613 2.746522 17 C 4.674727 4.014068 4.744239 5.451600 4.163087 18 H 3.579208 3.022008 2.822838 3.604093 2.148587 19 H 3.462083 2.217929 3.757873 3.825313 2.693167 20 H 4.985812 4.671647 4.909628 5.901957 4.666598 21 H 5.431665 4.583411 5.152072 5.814634 4.316615 22 H 4.992820 4.224697 5.514674 6.033793 4.888982 23 C 2.552376 2.516129 4.254411 4.513110 4.264135 24 C 3.793060 4.029926 5.335611 5.877064 5.550298 25 H 3.113941 2.434182 4.755769 4.751106 4.365860 26 H 2.044472 2.415246 4.251669 4.283480 4.456679 27 H 4.535697 4.566879 5.703815 6.391616 5.783432 28 H 4.362148 4.500044 6.201389 6.539098 6.334625 29 H 3.842502 4.506269 5.303635 6.021662 5.847676 16 17 18 19 20 16 C 0.000000 17 C 1.518574 0.000000 18 H 1.068257 2.130350 0.000000 19 H 1.071615 2.137934 1.730840 0.000000 20 H 2.186257 1.074666 2.554074 3.055470 0.000000 21 H 2.083566 1.076830 2.339037 2.453155 1.731632 22 H 2.177908 1.071627 3.036672 2.458819 1.747063 23 C 2.547887 3.151109 3.415060 2.769641 3.467102 24 C 3.462749 3.465065 4.319562 3.919881 3.415421 25 H 2.528028 3.038279 3.525820 2.369768 3.635914 26 H 3.351227 4.170283 4.086849 3.450601 4.473876 27 H 3.348590 2.892997 4.202934 3.907484 2.702641 28 H 4.283972 4.244947 5.220545 4.547211 4.305150 29 H 4.034779 4.126918 4.721417 4.637667 3.857148 21 22 23 24 25 21 H 0.000000 22 H 1.733399 0.000000 23 C 4.137932 3.013806 0.000000 24 C 4.532850 3.149346 1.519319 0.000000 25 H 3.896370 2.671003 1.072502 2.160990 0.000000 26 H 5.125342 4.066165 1.069058 2.118642 1.728648 27 H 3.922604 2.498278 2.189544 1.070228 2.571697 28 H 5.271688 3.707890 2.084514 1.076873 2.402473 29 H 5.200631 4.000873 2.170480 1.074568 3.059337 26 27 28 29 26 H 0.000000 27 H 3.041520 0.000000 28 H 2.401588 1.734520 0.000000 29 H 2.445288 1.746752 1.732319 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.630040 -2.116451 0.939569 2 6 0 -0.174490 -0.677986 1.101562 3 1 0 -1.654034 -2.199044 0.623824 4 1 0 -0.552764 -2.579346 1.908273 5 1 0 -0.013492 -2.682522 0.263806 6 7 0 -0.078729 0.129206 -0.176604 7 1 0 0.799469 -0.635203 1.538894 8 1 0 -0.848473 -0.135130 1.731854 9 6 0 -1.400281 0.094786 -0.937182 10 6 0 -2.612618 0.659589 -0.222451 11 1 0 -1.554567 -0.933730 -1.181182 12 1 0 -1.204840 0.628971 -1.845306 13 1 0 -2.835166 0.149762 0.698112 14 1 0 -3.448357 0.508399 -0.884175 15 1 0 -2.544349 1.713763 -0.028102 16 6 0 0.192610 1.592845 0.166373 17 6 0 1.535629 1.993992 0.750708 18 1 0 -0.587656 1.851059 0.848784 19 1 0 0.018216 2.120202 -0.750055 20 1 0 1.808958 1.440874 1.630628 21 1 0 1.426373 3.024430 1.043665 22 1 0 2.338772 1.942244 0.043129 23 6 0 0.952672 -0.457513 -1.141320 24 6 0 2.183392 -1.142574 -0.571802 25 1 0 1.213433 0.356996 -1.788498 26 1 0 0.403427 -1.168619 -1.720580 27 1 0 2.792061 -0.514568 0.045060 28 1 0 2.771824 -1.434971 -1.424977 29 1 0 1.941018 -2.038143 -0.029672 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6385583 1.3768650 1.0297827 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 540.1218708840 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.815191441 A.U. after 13 cycles Convg = 0.4965D-08 -V/T = 1.9999 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001438399 -0.001206747 0.000929594 2 6 0.004036605 -0.002324932 -0.010108545 3 1 0.001708046 0.004808058 -0.000923837 4 1 -0.002727562 0.001458219 0.004770906 5 1 -0.002505277 0.000066694 -0.002560611 6 7 -0.002899952 0.000158246 0.003941767 7 1 -0.002627957 -0.004508865 0.005188704 8 1 0.002494522 0.002607153 0.006006608 9 6 -0.001220532 -0.008539969 0.008734781 10 6 -0.001844847 -0.000485352 -0.002352605 11 1 -0.003649526 0.005851916 -0.003000503 12 1 0.003212846 -0.000004771 -0.006851172 13 1 -0.002029626 0.002076293 0.004145751 14 1 0.001796395 0.004888658 -0.002364688 15 1 0.004605956 -0.002120476 -0.000056952 16 6 -0.010390079 0.004663776 -0.002600078 17 6 -0.002667781 0.005428165 -0.000336962 18 1 0.005044184 0.001613497 0.004924188 19 1 0.004856857 -0.002297750 -0.005384416 20 1 -0.003095402 0.000919110 0.005035071 21 1 0.004360189 -0.003158431 0.001156898 22 1 -0.003664131 -0.004295906 -0.005839620 23 6 0.007601239 0.003907820 0.006826567 24 6 0.003662742 0.002058920 -0.002563979 25 1 0.001400178 -0.005039631 -0.004596757 26 1 -0.004876899 0.002651671 -0.005564585 27 1 0.003946425 -0.006205811 0.004439628 28 1 -0.003333729 -0.003412766 -0.003223430 29 1 -0.002631285 0.000443207 0.002228277 ------------------------------------------------------------------- Cartesian Forces: Max 0.010390079 RMS 0.004116002 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.016418133 RMS 0.003468128 Search for a local minimum. Step number 4 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 4 3 DE= 2.39D-03 DEPred=-4.06D-03 R=-5.88D-01 Trust test=-5.88D-01 RLast= 5.12D-01 DXMaxT set to 2.52D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.00226 0.00230 0.00230 0.00244 0.00260 Eigenvalues --- 0.00312 0.00330 0.00518 0.02935 0.03149 Eigenvalues --- 0.03193 0.03273 0.04524 0.04573 0.04592 Eigenvalues --- 0.04660 0.04863 0.04922 0.04949 0.04956 Eigenvalues --- 0.05012 0.05133 0.05784 0.05845 0.05866 Eigenvalues --- 0.05982 0.06216 0.08821 0.08981 0.09324 Eigenvalues --- 0.09541 0.12488 0.12572 0.12846 0.12933 Eigenvalues --- 0.14822 0.15376 0.15906 0.15967 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16153 0.16423 0.21809 Eigenvalues --- 0.22029 0.22059 0.26596 0.27778 0.28331 Eigenvalues --- 0.28831 0.29328 0.29815 0.31358 0.31835 Eigenvalues --- 0.32098 0.32148 0.32192 0.32273 0.32421 Eigenvalues --- 0.32460 0.32487 0.32518 0.32542 0.32551 Eigenvalues --- 0.32587 0.32693 0.32742 0.32801 0.32827 Eigenvalues --- 0.32852 0.32905 0.32930 0.33396 0.38288 Eigenvalues --- 0.398071000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.06740092D-03 EMin= 2.26265053D-03 Quartic linear search produced a step of -0.68518. Maximum step size ( 0.252) exceeded in Quadratic search. -- Step size scaled by 0.661 Iteration 1 RMS(Cart)= 0.09653933 RMS(Int)= 0.00426311 Iteration 2 RMS(Cart)= 0.00603879 RMS(Int)= 0.00010558 Iteration 3 RMS(Cart)= 0.00001781 RMS(Int)= 0.00010482 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00010482 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86775 0.00472 0.00738 0.00574 0.01313 2.88087 R2 2.03098 0.00514 0.00749 0.00350 0.01098 2.04196 R3 2.03410 0.00558 0.00715 0.00415 0.01131 2.04540 R4 2.03286 0.00335 0.00656 0.00289 0.00945 2.04231 R5 2.86244 0.00228 -0.00922 0.00523 -0.00399 2.85845 R6 2.01917 0.00683 0.01002 0.00309 0.01312 2.03228 R7 2.02317 0.00622 0.00908 0.00469 0.01377 2.03693 R8 2.88217 0.00249 -0.00732 -0.00058 -0.00791 2.87426 R9 2.88671 -0.00670 -0.01490 0.00348 -0.01142 2.87529 R10 2.88993 0.00045 -0.01319 0.00541 -0.00778 2.88214 R11 2.86566 0.00398 0.00820 0.00538 0.01357 2.87924 R12 2.01873 0.00664 0.00992 0.00524 0.01516 2.03388 R13 2.02495 0.00705 0.00956 0.00605 0.01560 2.04056 R14 2.03257 0.00504 0.00689 0.00388 0.01077 2.04334 R15 2.03459 0.00551 0.00717 0.00407 0.01123 2.04582 R16 2.02978 0.00500 0.00763 0.00343 0.01106 2.04083 R17 2.86969 0.00148 0.00530 0.00420 0.00950 2.87919 R18 2.01871 0.00667 0.00974 0.00520 0.01494 2.03365 R19 2.02506 0.00716 0.00912 0.00666 0.01578 2.04084 R20 2.03083 0.00587 0.00756 0.00387 0.01143 2.04226 R21 2.03491 0.00522 0.00740 0.00377 0.01117 2.04609 R22 2.02508 0.00799 0.01003 0.00239 0.01242 2.03750 R23 2.87110 0.00322 0.00639 0.00892 0.01531 2.88640 R24 2.02674 0.00630 0.00876 0.00518 0.01394 2.04067 R25 2.02023 0.00697 0.00992 0.00644 0.01636 2.03659 R26 2.02244 0.00851 0.01021 -0.00031 0.00990 2.03234 R27 2.03499 0.00548 0.00720 0.00443 0.01163 2.04662 R28 2.03064 0.00315 0.00716 0.00261 0.00977 2.04040 A1 1.97166 -0.00086 -0.00272 -0.00012 -0.00283 1.96884 A2 1.86504 0.00141 0.00373 0.00280 0.00652 1.87156 A3 1.97556 0.00125 -0.00118 0.00299 0.00181 1.97737 A4 1.87522 -0.00074 -0.00102 -0.00408 -0.00510 1.87012 A5 1.89767 -0.00045 -0.00125 -0.00080 -0.00204 1.89563 A6 1.87328 -0.00067 0.00282 -0.00120 0.00160 1.87488 A7 2.01975 0.00118 0.00005 0.00578 0.00580 2.02555 A8 1.93400 0.00004 -0.00647 0.00030 -0.00631 1.92769 A9 1.93317 -0.00321 -0.00965 -0.00723 -0.01693 1.91624 A10 1.84046 0.00069 0.01281 0.00622 0.01902 1.85948 A11 1.84042 0.00194 0.01365 0.00186 0.01556 1.85598 A12 1.88869 -0.00050 -0.00984 -0.00717 -0.01707 1.87162 A13 1.93263 -0.00301 0.00405 0.00074 0.00485 1.93748 A14 1.90960 0.00008 -0.00462 0.00497 0.00063 1.91023 A15 1.95034 0.00517 0.00096 0.01218 0.01353 1.96387 A16 1.86241 0.00424 0.01117 -0.01565 -0.00474 1.85767 A17 1.83501 0.00202 0.01509 -0.01944 -0.00456 1.83045 A18 1.97082 -0.00853 -0.02556 0.01487 -0.01062 1.96020 A19 2.03676 0.00153 0.00154 0.00571 0.00722 2.04397 A20 1.83462 0.00168 0.01702 0.00296 0.01999 1.85462 A21 1.82692 0.00115 0.01474 -0.00118 0.01360 1.84052 A22 1.92920 -0.00219 -0.01149 -0.00009 -0.01167 1.91754 A23 1.93861 -0.00175 -0.01154 -0.00245 -0.01401 1.92460 A24 1.88887 -0.00021 -0.00941 -0.00555 -0.01488 1.87399 A25 1.97389 -0.00056 -0.00219 0.00091 -0.00128 1.97261 A26 1.85312 0.00220 0.00502 0.00381 0.00883 1.86195 A27 1.98232 -0.00048 -0.00274 0.00012 -0.00262 1.97970 A28 1.87429 -0.00085 0.00005 -0.00317 -0.00313 1.87115 A29 1.90021 0.00060 0.00129 0.00102 0.00232 1.90253 A30 1.87377 -0.00095 -0.00118 -0.00311 -0.00428 1.86949 A31 2.09046 -0.01642 -0.02504 0.01906 -0.00598 2.08449 A32 1.81861 0.00755 0.02284 -0.00531 0.01767 1.83628 A33 1.82410 0.00656 0.01828 0.00014 0.01871 1.84281 A34 1.91379 0.00265 -0.00478 -0.00751 -0.01255 1.90125 A35 1.92090 0.00273 -0.00851 -0.00407 -0.01273 1.90817 A36 1.88439 -0.00208 0.00037 -0.00379 -0.00329 1.88110 A37 1.98672 -0.00156 -0.00572 0.00270 -0.00300 1.98373 A38 1.84184 0.00294 0.00915 0.00074 0.00987 1.85171 A39 1.97794 -0.00187 -0.00710 0.00193 -0.00514 1.97280 A40 1.87084 -0.00032 0.00294 -0.00353 -0.00061 1.87024 A41 1.90198 0.00130 0.00453 0.00471 0.00928 1.91126 A42 1.87746 -0.00034 -0.00310 -0.00784 -0.01096 1.86650 A43 2.07470 -0.00490 -0.01168 0.01990 0.00830 2.08300 A44 1.82686 0.00348 0.00901 0.00277 0.01218 1.83904 A45 1.82400 0.00397 0.02694 -0.00801 0.01900 1.84300 A46 1.95162 -0.00310 -0.01815 0.00208 -0.01614 1.93548 A47 1.89585 0.00207 -0.00096 -0.01257 -0.01380 1.88205 A48 1.87875 -0.00091 -0.00265 -0.00655 -0.00921 1.86955 A49 1.99563 -0.00267 -0.00229 0.00813 0.00583 2.00146 A50 1.84219 0.00242 0.00716 0.00262 0.00975 1.85195 A51 1.96297 0.00225 0.00047 0.00209 0.00256 1.96553 A52 1.88096 -0.00056 -0.00079 -0.00506 -0.00589 1.87507 A53 1.90343 -0.00016 -0.00453 -0.00311 -0.00763 1.89580 A54 1.87199 -0.00128 0.00049 -0.00575 -0.00526 1.86674 D1 -1.17986 -0.00003 0.01121 -0.01109 0.00013 -1.17973 D2 3.00956 -0.00183 -0.00071 -0.02368 -0.02435 2.98521 D3 0.91321 0.00090 0.02176 -0.01011 0.01161 0.92482 D4 3.04482 0.00046 0.01163 -0.00782 0.00382 3.04864 D5 0.95105 -0.00133 -0.00029 -0.02041 -0.02066 0.93040 D6 -1.14530 0.00139 0.02218 -0.00684 0.01531 -1.12999 D7 0.98648 -0.00033 0.00642 -0.00987 -0.00345 0.98303 D8 -1.10729 -0.00213 -0.00550 -0.02246 -0.02793 -1.13522 D9 3.07954 0.00060 0.01697 -0.00888 0.00804 3.08758 D10 0.95252 -0.00208 -0.00035 -0.05230 -0.05264 0.89988 D11 3.00054 0.00136 0.01291 -0.06797 -0.05517 2.94537 D12 -1.08683 -0.00591 -0.02253 -0.03618 -0.05868 -1.14551 D13 3.09649 -0.00075 0.00107 -0.04353 -0.04239 3.05410 D14 -1.13868 0.00269 0.01432 -0.05921 -0.04493 -1.18361 D15 1.05713 -0.00459 -0.02111 -0.02742 -0.04844 1.00870 D16 -1.19034 -0.00019 0.00171 -0.04812 -0.04640 -1.23675 D17 0.85768 0.00325 0.01496 -0.06379 -0.04894 0.80874 D18 3.05348 -0.00402 -0.02048 -0.03201 -0.05245 3.00104 D19 1.05953 -0.00167 0.00438 -0.01571 -0.01130 1.04823 D20 -1.08475 -0.00114 0.00498 -0.02157 -0.01664 -1.10138 D21 -3.07318 -0.00206 0.00193 -0.01611 -0.01414 -3.08733 D22 -1.01723 -0.00264 0.00088 -0.01272 -0.01189 -1.02912 D23 3.12168 -0.00210 0.00148 -0.01859 -0.01722 3.10446 D24 1.13324 -0.00302 -0.00158 -0.01313 -0.01473 1.11852 D25 -3.11443 0.00411 0.01718 -0.01243 0.00482 -3.10961 D26 1.02448 0.00465 0.01778 -0.01829 -0.00051 1.02396 D27 -0.96396 0.00372 0.01472 -0.01283 0.00198 -0.96198 D28 1.20469 0.00097 -0.01012 0.02186 0.01163 1.21632 D29 -0.94181 0.00208 -0.00576 0.02354 0.01751 -0.92430 D30 -2.91779 -0.00110 -0.02338 0.02974 0.00642 -2.91137 D31 -2.98681 -0.00014 -0.00135 0.01640 0.01502 -2.97179 D32 1.14987 0.00098 0.00302 0.01809 0.02090 1.17077 D33 -0.82610 -0.00221 -0.01461 0.02429 0.00981 -0.81630 D34 -0.97932 0.00036 0.00977 -0.00870 0.00122 -0.97809 D35 -3.12582 0.00148 0.01414 -0.00701 0.00710 -3.11872 D36 1.18139 -0.00171 -0.00349 -0.00082 -0.00399 1.17740 D37 -0.57118 -0.00361 -0.10394 -0.05560 -0.15950 -0.73069 D38 -2.76452 0.00108 -0.07912 -0.07509 -0.15433 -2.91884 D39 1.54573 -0.00085 -0.09115 -0.06577 -0.15676 1.38897 D40 -2.66873 -0.00404 -0.11898 -0.05109 -0.16996 -2.83869 D41 1.42112 0.00065 -0.09416 -0.07059 -0.16478 1.25634 D42 -0.55182 -0.00128 -0.10619 -0.06127 -0.16722 -0.71903 D43 1.59056 -0.00601 -0.12805 -0.02818 -0.15635 1.43421 D44 -0.60277 -0.00133 -0.10323 -0.04767 -0.15117 -0.75394 D45 -2.57571 -0.00325 -0.11525 -0.03835 -0.15361 -2.72932 D46 -1.04415 0.00001 -0.00582 0.00015 -0.00566 -1.04981 D47 -3.09518 -0.00003 -0.00784 0.00111 -0.00673 -3.10190 D48 1.13294 -0.00002 -0.00809 0.00239 -0.00570 1.12724 D49 1.05034 0.00161 0.00877 0.00815 0.01691 1.06724 D50 -1.00069 0.00157 0.00675 0.00911 0.01584 -0.98485 D51 -3.05575 0.00158 0.00649 0.01039 0.01687 -3.03889 D52 -3.13587 -0.00125 -0.01738 -0.00049 -0.01786 3.12946 D53 1.09629 -0.00129 -0.01940 0.00047 -0.01892 1.07737 D54 -0.95877 -0.00128 -0.01965 0.00175 -0.01790 -0.97667 D55 -0.94546 -0.00031 -0.02640 -0.00233 -0.02875 -0.97421 D56 -2.99211 -0.00097 -0.03271 0.00004 -0.03271 -3.02481 D57 1.24111 -0.00141 -0.03083 0.00806 -0.02282 1.21828 D58 1.15400 0.00009 -0.01786 -0.00192 -0.01987 1.13413 D59 -0.89265 -0.00056 -0.02417 0.00045 -0.02382 -0.91647 D60 -2.94262 -0.00100 -0.02229 0.00847 -0.01394 -2.95656 D61 -3.05875 0.00082 -0.02532 -0.01361 -0.03878 -3.09753 D62 1.17779 0.00017 -0.03163 -0.01124 -0.04274 1.13506 D63 -0.87218 -0.00027 -0.02976 -0.00322 -0.03286 -0.90503 D64 -1.03959 0.00184 0.01124 -0.00864 0.00270 -1.03689 D65 -3.10377 0.00242 0.00875 -0.00869 0.00014 -3.10363 D66 1.14374 0.00132 0.00356 -0.00445 -0.00080 1.14293 D67 1.09251 -0.00009 -0.00131 0.01344 0.01196 1.10447 D68 -0.97166 0.00049 -0.00379 0.01339 0.00940 -0.96227 D69 -3.00735 -0.00060 -0.00898 0.01763 0.00846 -2.99889 D70 -3.11983 -0.00175 -0.01577 -0.00144 -0.01711 -3.13694 D71 1.09918 -0.00117 -0.01826 -0.00150 -0.01967 1.07951 D72 -0.93650 -0.00227 -0.02345 0.00275 -0.02061 -0.95711 Item Value Threshold Converged? Maximum Force 0.016418 0.000450 NO RMS Force 0.003468 0.000300 NO Maximum Displacement 0.521188 0.001800 NO RMS Displacement 0.097135 0.001200 NO Predicted change in Energy=-8.070016D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.106544 3.394565 1.029961 2 6 0 -4.012614 2.338513 1.140173 3 1 0 -4.727330 4.360596 0.728984 4 1 0 -5.537558 3.513849 2.015631 5 1 0 -5.905886 3.113517 0.359086 6 7 0 -3.357246 1.922765 -0.158167 7 1 0 -4.400439 1.441179 1.588446 8 1 0 -3.221321 2.697844 1.777828 9 6 0 -2.878407 3.136173 -0.940327 10 6 0 -1.852151 4.037096 -0.264622 11 1 0 -3.759368 3.704233 -1.184469 12 1 0 -2.481099 2.744198 -1.864722 13 1 0 -2.209622 4.464413 0.662090 14 1 0 -1.664084 4.858340 -0.944489 15 1 0 -0.905184 3.549922 -0.085090 16 6 0 -2.120535 1.089088 0.142836 17 6 0 -2.283881 -0.309852 0.723911 18 1 0 -1.537715 1.684317 0.824120 19 1 0 -1.577923 1.028045 -0.788921 20 1 0 -2.857341 -0.334883 1.639588 21 1 0 -1.285507 -0.654122 0.962789 22 1 0 -2.698761 -1.013274 0.019930 23 6 0 -4.323064 1.207691 -1.097311 24 6 0 -5.298217 0.179505 -0.527293 25 1 0 -3.703258 0.766979 -1.863958 26 1 0 -4.901598 1.986794 -1.566109 27 1 0 -4.833169 -0.650944 -0.026579 28 1 0 -5.845494 -0.217023 -1.373577 29 1 0 -6.024587 0.620774 0.138663 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524493 0.000000 3 H 1.080559 2.183740 0.000000 4 H 1.082380 2.115017 1.740377 0.000000 5 H 1.080744 2.189797 1.755285 1.743580 0.000000 6 N 2.576410 1.512628 2.933801 3.465647 2.860246 7 H 2.150862 1.075437 3.060805 2.402391 2.564061 8 H 2.144480 1.077899 2.476466 2.467260 3.064719 9 C 2.985531 2.500234 2.775667 3.993922 3.294634 10 C 3.560880 3.086460 3.059176 4.365268 4.204138 11 H 2.610456 2.708005 2.242558 3.665903 2.709068 12 H 3.961708 3.396987 3.792837 4.999145 4.100108 13 H 3.109994 2.828214 2.520736 3.716289 3.947037 14 H 4.229850 4.026281 3.525868 5.057052 4.768291 15 H 4.349587 3.553154 3.991080 5.086573 5.039322 16 C 3.875366 2.477035 4.223946 4.589430 4.298134 17 C 4.667313 3.189926 5.271012 5.184173 4.997147 18 H 3.962810 2.579338 4.164753 4.556932 4.619500 19 H 4.621679 3.371417 4.829980 5.451921 4.939471 20 H 4.397652 2.954846 5.135522 4.705073 4.777528 21 H 5.567468 4.052707 6.086724 6.046519 5.992283 22 H 5.123146 3.770362 5.787602 5.704072 5.237469 23 C 3.149848 2.526158 3.666005 4.060020 2.873776 24 C 3.577483 3.015714 4.402915 4.200189 3.124636 25 H 4.153094 3.404442 4.548204 5.095210 3.911487 26 H 2.960304 2.870185 3.306472 3.945276 2.446319 27 H 4.190126 3.312321 5.069281 4.691725 3.933271 28 H 4.400751 4.026059 5.160005 5.049847 3.754765 29 H 3.054690 2.828725 4.002203 3.482827 2.505283 6 7 8 9 10 6 N 0.000000 7 H 2.090655 0.000000 8 H 2.089809 1.733607 0.000000 9 C 1.520993 3.403569 2.774543 0.000000 10 C 2.597506 4.082452 2.799969 1.523627 0.000000 11 H 2.094905 3.636130 3.174511 1.076285 2.143453 12 H 2.086795 4.160060 3.717291 1.079817 2.151158 13 H 2.906860 3.846785 2.321459 2.186146 1.081287 14 H 3.478893 5.057706 3.808378 2.107239 1.082604 15 H 2.943737 4.411840 3.092086 2.190029 1.079962 16 C 1.521536 2.722447 2.544214 2.436836 2.988110 17 C 2.629592 2.879819 3.322014 3.872756 4.478788 18 H 2.081451 2.972962 2.184336 2.649267 2.611474 19 H 2.089106 3.713375 3.475225 2.481610 3.066672 20 H 2.928960 2.353331 3.057618 4.324885 4.873461 21 H 3.491273 3.805855 3.955671 4.530509 4.882125 22 H 3.014240 3.373469 4.139526 4.262895 5.128737 23 C 1.525164 2.696997 3.420646 2.414688 3.847637 24 C 2.634877 2.621865 3.996137 3.842910 5.179321 25 H 2.089327 3.586043 4.150074 2.673304 4.083887 26 H 2.090795 3.240382 3.809310 2.409559 3.898298 27 H 2.969788 2.678160 4.131382 4.358702 5.560651 28 H 3.499613 3.689363 5.031311 4.498359 5.939199 29 H 2.982951 2.326541 3.854787 4.170120 5.407690 11 12 13 14 15 11 H 0.000000 12 H 1.737350 0.000000 13 H 2.527720 3.068814 0.000000 14 H 2.404115 2.446209 1.741806 0.000000 15 H 3.062484 2.509938 1.759583 1.739671 0.000000 16 C 3.359538 2.626726 3.416194 3.949416 2.754039 17 C 4.683146 4.008384 4.775243 5.466070 4.177696 18 H 3.612511 3.040262 2.864725 3.635708 2.169618 19 H 3.475219 2.217715 3.783266 3.834421 2.703297 20 H 5.010330 4.680010 4.940474 5.922067 4.677300 21 H 5.452152 4.579611 5.209972 5.845362 4.349331 22 H 4.983005 4.209262 5.536847 6.039578 4.904151 23 C 2.560873 2.518454 4.262437 4.518934 4.265271 24 C 3.901749 4.037638 5.414285 5.939063 5.554637 25 H 3.015347 2.324450 4.720475 4.662927 4.328783 26 H 2.097603 2.553752 4.283714 4.371920 4.539615 27 H 4.632637 4.520840 5.790003 6.421672 5.751501 28 H 4.445664 4.508792 6.267324 6.589963 6.344819 29 H 4.048409 4.591165 5.440726 6.176097 5.902395 16 17 18 19 20 16 C 0.000000 17 C 1.523602 0.000000 18 H 1.076162 2.131553 0.000000 19 H 1.079966 2.139393 1.741899 0.000000 20 H 2.193363 1.080716 2.546285 3.064659 0.000000 21 H 2.099613 1.082743 2.356084 2.446156 1.740870 22 H 2.183890 1.078201 3.044954 2.465258 1.763138 23 C 2.530447 3.126988 3.417197 2.768245 3.466770 24 C 3.372547 3.300182 4.269912 3.824795 3.304216 25 H 2.576041 3.141857 3.571673 2.396020 3.768887 26 H 3.385362 4.167879 4.137680 3.545425 4.454847 27 H 3.227196 2.679263 4.127608 3.741229 2.603825 28 H 4.228563 4.134388 5.196337 4.483768 4.245246 29 H 3.932042 3.898906 4.661866 4.560604 3.632837 21 22 23 24 25 21 H 0.000000 22 H 1.736450 0.000000 23 C 4.115472 2.969726 0.000000 24 C 4.360862 2.911932 1.527419 0.000000 25 H 3.981902 2.779811 1.079877 2.162335 0.000000 26 H 5.142555 4.045790 1.077717 2.121966 1.735707 27 H 3.683037 2.165443 2.204813 1.075467 2.581311 28 H 5.142289 3.532394 2.103313 1.083025 2.407884 29 H 4.976286 3.707470 2.183411 1.079736 3.069273 26 27 28 29 26 H 0.000000 27 H 3.054913 0.000000 28 H 2.405164 1.739969 0.000000 29 H 2.456291 1.750442 1.738059 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.936601 2.062275 -0.907429 2 6 0 -0.272062 0.702393 -1.089603 3 1 0 -1.970184 1.985774 -0.601713 4 1 0 -0.924294 2.556733 -1.870189 5 1 0 -0.416611 2.701879 -0.208484 6 7 0 -0.069500 -0.112040 0.168853 7 1 0 0.697712 0.815501 -1.540502 8 1 0 -0.863734 0.092990 -1.753244 9 6 0 -1.365367 -0.230291 0.956357 10 6 0 -2.545047 -0.893707 0.256591 11 1 0 -1.630804 0.770009 1.251879 12 1 0 -1.108438 -0.773973 1.853242 13 1 0 -2.847934 -0.376833 -0.643566 14 1 0 -3.378806 -0.851912 0.945888 15 1 0 -2.376450 -1.934877 0.024518 16 6 0 0.337894 -1.529512 -0.205148 17 6 0 1.714060 -1.778076 -0.809918 18 1 0 -0.413867 -1.865895 -0.897843 19 1 0 0.235232 -2.109342 0.700160 20 1 0 1.908240 -1.196321 -1.699751 21 1 0 1.730397 -2.821025 -1.100303 22 1 0 2.516871 -1.635739 -0.104404 23 6 0 0.916823 0.538493 1.133269 24 6 0 2.191915 1.174998 0.583714 25 1 0 1.149964 -0.223863 1.861688 26 1 0 0.358843 1.305740 1.644605 27 1 0 2.833606 0.501244 0.044345 28 1 0 2.745036 1.530930 1.444130 29 1 0 1.992032 2.033818 -0.039426 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6829972 1.3313521 1.0262776 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 538.6909822392 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.818103116 A.U. after 13 cycles Convg = 0.4904D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000547166 -0.001082408 -0.000063397 2 6 0.000267653 -0.000311168 -0.000367369 3 1 0.000458339 0.000557911 -0.000128950 4 1 -0.000571485 -0.000122095 0.000712436 5 1 -0.001054421 -0.001019257 -0.000935233 6 7 0.000222806 -0.000824182 0.000413467 7 1 -0.000719789 -0.001516392 0.000438906 8 1 0.000753600 0.000512397 0.000492561 9 6 -0.000149390 0.000668641 -0.000016671 10 6 -0.000699800 -0.000493213 -0.000380082 11 1 -0.000420370 0.000972015 -0.000229874 12 1 0.000662258 0.000185045 -0.000550463 13 1 -0.000306579 0.000074446 0.000800652 14 1 0.000110853 0.000805684 -0.000430039 15 1 0.000659956 -0.000325329 -0.000124347 16 6 -0.000111961 -0.000214741 -0.000411609 17 6 -0.001236915 0.001696817 -0.000456808 18 1 0.000775466 0.000079326 0.000473287 19 1 0.000204790 -0.000473415 -0.000725696 20 1 -0.001183848 0.000417921 0.000740410 21 1 0.000795362 -0.000184987 0.000428407 22 1 -0.001199738 -0.000713426 -0.001216141 23 6 -0.000572874 0.000220460 0.000536147 24 6 0.001415839 0.002259777 0.000226581 25 1 0.000692896 -0.001444788 0.000163066 26 1 -0.000124075 0.000563864 -0.000862707 27 1 0.001884149 -0.001377962 0.001097057 28 1 -0.000316328 -0.000306470 -0.000671386 29 1 -0.000783559 0.001395528 0.001047795 ------------------------------------------------------------------- Cartesian Forces: Max 0.002259777 RMS 0.000772682 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.007438241 RMS 0.001258011 Search for a local minimum. Step number 5 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 4 3 5 DE= -5.22D-04 DEPred=-8.07D-04 R= 6.47D-01 SS= 1.41D+00 RLast= 2.19D-01 DXNew= 4.2426D-01 6.5628D-01 Trust test= 6.47D-01 RLast= 2.19D-01 DXMaxT set to 4.24D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.00225 0.00230 0.00230 0.00249 0.00263 Eigenvalues --- 0.00316 0.00350 0.00870 0.02948 0.03080 Eigenvalues --- 0.03143 0.03570 0.04558 0.04632 0.04642 Eigenvalues --- 0.04696 0.04874 0.04950 0.04962 0.05011 Eigenvalues --- 0.05085 0.05687 0.05784 0.05826 0.05943 Eigenvalues --- 0.06029 0.06282 0.08910 0.09067 0.09347 Eigenvalues --- 0.09415 0.12600 0.12657 0.12911 0.12934 Eigenvalues --- 0.14820 0.15604 0.15946 0.15978 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16101 0.16242 0.17331 0.21903 Eigenvalues --- 0.22016 0.23222 0.27255 0.27864 0.28368 Eigenvalues --- 0.28889 0.29427 0.30597 0.31718 0.31942 Eigenvalues --- 0.32109 0.32157 0.32196 0.32273 0.32421 Eigenvalues --- 0.32462 0.32489 0.32521 0.32542 0.32551 Eigenvalues --- 0.32622 0.32742 0.32790 0.32826 0.32852 Eigenvalues --- 0.32877 0.32924 0.33379 0.33636 0.37505 Eigenvalues --- 0.508571000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-1.05841728D-03 EMin= 2.24728308D-03 Quartic linear search produced a step of -0.39926. Iteration 1 RMS(Cart)= 0.05890554 RMS(Int)= 0.00178011 Iteration 2 RMS(Cart)= 0.00226814 RMS(Int)= 0.00002034 Iteration 3 RMS(Cart)= 0.00000278 RMS(Int)= 0.00002026 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002026 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88087 -0.00068 -0.00094 0.00107 0.00013 2.88100 R2 2.04196 0.00070 -0.00002 0.00229 0.00227 2.04423 R3 2.04540 0.00086 -0.00035 0.00287 0.00253 2.04793 R4 2.04231 0.00163 0.00005 0.00212 0.00217 2.04448 R5 2.85845 -0.00055 -0.00378 0.00424 0.00046 2.85891 R6 2.03228 0.00171 0.00060 0.00322 0.00382 2.03610 R7 2.03693 0.00102 -0.00021 0.00296 0.00275 2.03969 R8 2.87426 0.00194 -0.00111 0.00466 0.00355 2.87781 R9 2.87529 -0.00215 -0.00412 0.00001 -0.00411 2.87118 R10 2.88214 -0.00295 -0.00458 0.00294 -0.00164 2.88051 R11 2.87924 -0.00018 -0.00064 0.00070 0.00006 2.87929 R12 2.03388 0.00091 -0.00027 0.00297 0.00270 2.03659 R13 2.04056 0.00065 -0.00066 0.00325 0.00259 2.04315 R14 2.04334 0.00082 -0.00028 0.00252 0.00223 2.04557 R15 2.04582 0.00090 -0.00031 0.00284 0.00253 2.04835 R16 2.04083 0.00070 0.00003 0.00218 0.00221 2.04304 R17 2.87919 -0.00101 -0.00070 -0.00102 -0.00172 2.87747 R18 2.03365 0.00076 -0.00029 0.00294 0.00265 2.03630 R19 2.04084 0.00076 -0.00099 0.00353 0.00254 2.04338 R20 2.04226 0.00125 -0.00016 0.00304 0.00288 2.04514 R21 2.04609 0.00089 -0.00015 0.00258 0.00243 2.04852 R22 2.03750 0.00172 0.00088 0.00343 0.00431 2.04182 R23 2.88640 -0.00210 -0.00239 0.00001 -0.00237 2.88403 R24 2.04067 0.00087 -0.00046 0.00312 0.00266 2.04333 R25 2.03659 0.00085 -0.00075 0.00328 0.00252 2.03911 R26 2.03234 0.00239 0.00200 0.00347 0.00546 2.03780 R27 2.04662 0.00080 -0.00045 0.00275 0.00230 2.04892 R28 2.04040 0.00174 0.00027 0.00187 0.00215 2.04255 A1 1.96884 -0.00007 -0.00045 -0.00058 -0.00103 1.96781 A2 1.87156 0.00017 -0.00043 0.00124 0.00081 1.87237 A3 1.97737 -0.00081 -0.00141 0.00064 -0.00076 1.97661 A4 1.87012 0.00014 0.00144 -0.00085 0.00059 1.87071 A5 1.89563 0.00052 0.00009 0.00064 0.00072 1.89635 A6 1.87488 0.00010 0.00100 -0.00123 -0.00022 1.87466 A7 2.02555 -0.00092 -0.00229 0.00011 -0.00218 2.02337 A8 1.92769 -0.00036 -0.00125 0.00085 -0.00040 1.92729 A9 1.91624 0.00085 0.00114 -0.00124 -0.00011 1.91613 A10 1.85948 0.00015 -0.00013 -0.00127 -0.00139 1.85809 A11 1.85598 0.00034 0.00174 0.00017 0.00191 1.85789 A12 1.87162 -0.00001 0.00108 0.00151 0.00259 1.87421 A13 1.93748 0.00024 0.00042 0.00423 0.00462 1.94210 A14 1.91023 0.00012 -0.00294 -0.00296 -0.00595 1.90428 A15 1.96387 -0.00114 -0.00484 0.00130 -0.00363 1.96024 A16 1.85767 0.00120 0.00840 0.00620 0.01463 1.87230 A17 1.83045 0.00110 0.01062 0.00339 0.01403 1.84448 A18 1.96020 -0.00135 -0.01066 -0.01140 -0.02202 1.93818 A19 2.04397 -0.00053 -0.00198 0.00027 -0.00171 2.04226 A20 1.85462 0.00040 0.00193 -0.00078 0.00116 1.85577 A21 1.84052 0.00067 0.00316 0.00002 0.00318 1.84370 A22 1.91754 -0.00021 -0.00204 -0.00093 -0.00297 1.91457 A23 1.92460 -0.00025 -0.00113 0.00004 -0.00109 1.92351 A24 1.87399 -0.00000 0.00046 0.00155 0.00202 1.87601 A25 1.97261 -0.00019 -0.00076 -0.00042 -0.00118 1.97143 A26 1.86195 0.00021 -0.00060 0.00182 0.00122 1.86317 A27 1.97970 -0.00012 -0.00055 -0.00015 -0.00070 1.97900 A28 1.87115 0.00002 0.00128 -0.00113 0.00015 1.87130 A29 1.90253 0.00013 -0.00017 0.00078 0.00061 1.90314 A30 1.86949 -0.00004 0.00102 -0.00100 0.00003 1.86951 A31 2.08449 -0.00744 -0.01221 -0.01174 -0.02396 2.06053 A32 1.83628 0.00267 0.00625 0.00384 0.01011 1.84639 A33 1.84281 0.00244 0.00318 0.00074 0.00390 1.84671 A34 1.90125 0.00176 0.00223 0.00340 0.00562 1.90687 A35 1.90817 0.00187 0.00012 0.00183 0.00191 1.91008 A36 1.88110 -0.00093 0.00153 0.00313 0.00465 1.88575 A37 1.98373 -0.00076 -0.00213 -0.00197 -0.00411 1.97962 A38 1.85171 0.00036 0.00139 0.00286 0.00425 1.85596 A39 1.97280 -0.00045 -0.00208 -0.00131 -0.00340 1.96940 A40 1.87024 0.00030 0.00195 -0.00011 0.00185 1.87209 A41 1.91126 0.00027 -0.00107 -0.00104 -0.00211 1.90914 A42 1.86650 0.00039 0.00257 0.00205 0.00462 1.87112 A43 2.08300 -0.00669 -0.01012 -0.00594 -0.01613 2.06688 A44 1.83904 0.00216 0.00039 -0.00368 -0.00339 1.83565 A45 1.84300 0.00224 0.00811 0.00566 0.01380 1.85679 A46 1.93548 0.00165 -0.00414 -0.00583 -0.01006 1.92542 A47 1.88205 0.00176 0.00495 0.00857 0.01354 1.89559 A48 1.86955 -0.00071 0.00213 0.00238 0.00456 1.87410 A49 2.00146 -0.00115 -0.00366 -0.00359 -0.00725 1.99421 A50 1.85195 0.00033 0.00028 0.00203 0.00230 1.85425 A51 1.96553 -0.00084 -0.00075 0.00143 0.00069 1.96622 A52 1.87507 0.00048 0.00189 -0.00100 0.00089 1.87596 A53 1.89580 0.00092 0.00040 0.00115 0.00156 1.89736 A54 1.86674 0.00041 0.00239 0.00009 0.00247 1.86921 D1 -1.17973 -0.00037 0.00648 -0.01780 -0.01132 -1.19105 D2 2.98521 0.00040 0.00931 -0.01687 -0.00755 2.97766 D3 0.92482 0.00010 0.00804 -0.01847 -0.01042 0.91440 D4 3.04864 -0.00061 0.00525 -0.01722 -0.01197 3.03667 D5 0.93040 0.00016 0.00808 -0.01629 -0.00820 0.92219 D6 -1.12999 -0.00014 0.00681 -0.01789 -0.01108 -1.14107 D7 0.98303 -0.00037 0.00512 -0.01689 -0.01178 0.97125 D8 -1.13522 0.00040 0.00795 -0.01596 -0.00801 -1.14323 D9 3.08758 0.00010 0.00668 -0.01756 -0.01088 3.07670 D10 0.89988 0.00083 0.02081 0.01658 0.03740 0.93729 D11 2.94537 0.00252 0.02955 0.02487 0.05443 2.99980 D12 -1.14551 0.00002 0.01030 0.00867 0.01896 -1.12656 D13 3.05410 -0.00014 0.01755 0.01677 0.03433 3.08842 D14 -1.18361 0.00154 0.02628 0.02506 0.05136 -1.13225 D15 1.00870 -0.00095 0.00704 0.00886 0.01588 1.02458 D16 -1.23675 0.00007 0.01952 0.01799 0.03752 -1.19923 D17 0.80874 0.00176 0.02826 0.02628 0.05455 0.86328 D18 3.00104 -0.00074 0.00901 0.01008 0.01907 3.02011 D19 1.04823 0.00046 0.00707 0.01426 0.02134 1.06957 D20 -1.10138 0.00078 0.00955 0.01592 0.02548 -1.07590 D21 -3.08733 0.00032 0.00677 0.01451 0.02129 -3.06603 D22 -1.02912 -0.00054 0.00526 0.01176 0.01699 -1.01212 D23 3.10446 -0.00023 0.00774 0.01342 0.02114 3.12559 D24 1.11852 -0.00069 0.00496 0.01200 0.01695 1.13546 D25 -3.10961 -0.00010 0.00809 0.02024 0.02833 -3.08128 D26 1.02396 0.00021 0.01056 0.02190 0.03247 1.05643 D27 -0.96198 -0.00025 0.00779 0.02048 0.02828 -0.93369 D28 1.21632 -0.00116 -0.01054 -0.01487 -0.02539 1.19094 D29 -0.92430 -0.00068 -0.01034 -0.01461 -0.02493 -0.94923 D30 -2.91137 -0.00180 -0.01619 -0.02006 -0.03620 -2.94758 D31 -2.97179 -0.00011 -0.00678 -0.00785 -0.01465 -2.98643 D32 1.17077 0.00037 -0.00659 -0.00760 -0.01419 1.15658 D33 -0.81630 -0.00075 -0.01243 -0.01305 -0.02546 -0.84176 D34 -0.97809 0.00121 0.00520 -0.00599 -0.00083 -0.97892 D35 -3.11872 0.00169 0.00540 -0.00573 -0.00037 -3.11909 D36 1.17740 0.00057 -0.00044 -0.01118 -0.01165 1.16575 D37 -0.73069 0.00102 0.00312 0.09610 0.09924 -0.63144 D38 -2.91884 0.00179 0.01551 0.11167 0.12717 -2.79167 D39 1.38897 0.00073 0.00948 0.10819 0.11770 1.50666 D40 -2.83869 0.00065 -0.00147 0.08806 0.08659 -2.75210 D41 1.25634 0.00142 0.01092 0.10363 0.11452 1.37086 D42 -0.71903 0.00037 0.00489 0.10015 0.10504 -0.61399 D43 1.43421 -0.00075 -0.01219 0.08430 0.07212 1.50633 D44 -0.75394 0.00002 0.00021 0.09987 0.10005 -0.65390 D45 -2.72932 -0.00103 -0.00583 0.09639 0.09057 -2.63875 D46 -1.04981 0.00028 -0.00113 0.01861 0.01748 -1.03233 D47 -3.10190 0.00023 -0.00188 0.01907 0.01719 -3.08471 D48 1.12724 0.00021 -0.00244 0.01921 0.01677 1.14401 D49 1.06724 0.00026 -0.00164 0.01700 0.01536 1.08260 D50 -0.98485 0.00021 -0.00239 0.01746 0.01507 -0.96978 D51 -3.03889 0.00019 -0.00295 0.01759 0.01464 -3.02424 D52 3.12946 -0.00002 -0.00300 0.01836 0.01536 -3.13836 D53 1.07737 -0.00008 -0.00375 0.01882 0.01507 1.09244 D54 -0.97667 -0.00010 -0.00431 0.01895 0.01464 -0.96202 D55 -0.97421 0.00021 -0.00390 0.01516 0.01125 -0.96296 D56 -3.02481 0.00003 -0.00600 0.01454 0.00854 -3.01628 D57 1.21828 -0.00042 -0.00885 0.01097 0.00212 1.22040 D58 1.13413 -0.00009 -0.00247 0.01468 0.01220 1.14633 D59 -0.91647 -0.00028 -0.00457 0.01406 0.00948 -0.90699 D60 -2.95656 -0.00073 -0.00742 0.01050 0.00306 -2.95350 D61 -3.09753 0.00086 0.00073 0.02144 0.02218 -3.07535 D62 1.13506 0.00068 -0.00137 0.02082 0.01946 1.15452 D63 -0.90503 0.00022 -0.00422 0.01726 0.01304 -0.89199 D64 -1.03689 0.00045 0.00547 0.01828 0.02372 -1.01317 D65 -3.10363 0.00030 0.00505 0.02021 0.02524 -3.07839 D66 1.14293 0.00005 0.00240 0.01810 0.02047 1.16340 D67 1.10447 -0.00045 -0.00554 0.00294 -0.00257 1.10190 D68 -0.96227 -0.00060 -0.00596 0.00488 -0.00106 -0.96332 D69 -2.99889 -0.00085 -0.00861 0.00277 -0.00582 -3.00471 D70 -3.13694 0.00065 -0.00236 0.00764 0.00528 -3.13165 D71 1.07951 0.00050 -0.00279 0.00958 0.00679 1.08630 D72 -0.95711 0.00025 -0.00544 0.00747 0.00203 -0.95508 Item Value Threshold Converged? Maximum Force 0.007438 0.000450 NO RMS Force 0.001258 0.000300 NO Maximum Displacement 0.245813 0.001800 NO RMS Displacement 0.059081 0.001200 NO Predicted change in Energy=-7.784280D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.138161 3.326823 1.031506 2 6 0 -3.996570 2.321648 1.134812 3 1 0 -4.802916 4.311409 0.734180 4 1 0 -5.573888 3.421681 2.019225 5 1 0 -5.925203 3.011667 0.359398 6 7 0 -3.337174 1.933032 -0.170162 7 1 0 -4.341155 1.406471 1.587175 8 1 0 -3.215812 2.719001 1.765317 9 6 0 -2.872365 3.161051 -0.941563 10 6 0 -1.833882 4.049393 -0.267821 11 1 0 -3.757729 3.736508 -1.157091 12 1 0 -2.490844 2.787470 -1.881692 13 1 0 -2.169805 4.446037 0.681688 14 1 0 -1.669179 4.893285 -0.927856 15 1 0 -0.878401 3.563023 -0.128731 16 6 0 -2.106009 1.093210 0.125455 17 6 0 -2.311267 -0.297772 0.709945 18 1 0 -1.507486 1.678868 0.803630 19 1 0 -1.571152 1.014724 -0.811028 20 1 0 -2.898966 -0.300145 1.618708 21 1 0 -1.325422 -0.670563 0.963424 22 1 0 -2.742730 -0.990664 0.002001 23 6 0 -4.290948 1.196686 -1.103755 24 6 0 -5.311989 0.240931 -0.492869 25 1 0 -3.654131 0.670146 -1.801174 26 1 0 -4.819353 1.955728 -1.659630 27 1 0 -4.879415 -0.553351 0.094371 28 1 0 -5.834708 -0.216851 -1.325205 29 1 0 -6.053236 0.750853 0.106143 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524560 0.000000 3 H 1.081758 2.183999 0.000000 4 H 1.083718 2.116647 1.742800 0.000000 5 H 1.081890 2.190210 1.757646 1.745439 0.000000 6 N 2.574921 1.512872 2.936480 3.465889 2.853381 7 H 2.152148 1.077460 3.062595 2.401535 2.567742 8 H 2.145543 1.079356 2.473441 2.473612 3.066442 9 C 3.009038 2.505946 2.803296 4.016518 3.321842 10 C 3.623344 3.103177 3.144492 4.428572 4.267223 11 H 2.619808 2.704014 2.236032 3.672402 2.742824 12 H 3.973148 3.403453 3.809312 5.012438 4.107015 13 H 3.191575 2.838207 2.637073 3.798170 4.032903 14 H 4.280974 4.035426 3.594615 5.108587 4.828173 15 H 4.421255 3.586157 4.087361 5.165394 5.100243 16 C 3.873487 2.470239 4.242719 4.586320 4.280357 17 C 4.607866 3.143583 5.239605 5.117934 4.912821 18 H 3.993681 2.591984 4.218407 4.588104 4.635722 19 H 4.632957 3.372980 4.868275 5.461289 4.931069 20 H 4.302755 2.883172 5.066936 4.600827 4.659621 21 H 5.524556 4.014689 6.079932 5.992549 5.922977 22 H 5.043676 3.718438 5.735193 5.617245 5.125869 23 C 3.132825 2.522574 3.652618 4.043457 2.847063 24 C 3.446253 2.951110 4.281775 4.061573 2.963000 25 H 4.157446 3.385961 4.583288 5.084472 3.912616 26 H 3.037063 2.935946 3.358546 4.031416 2.532664 27 H 4.000115 3.182381 4.907250 4.470820 3.724683 28 H 4.312411 3.984271 5.080433 4.948955 3.642720 29 H 2.886050 2.784858 3.825610 3.320088 2.278555 6 7 8 9 10 6 N 0.000000 7 H 2.091287 0.000000 8 H 2.092500 1.738064 0.000000 9 C 1.522871 3.410339 2.764157 0.000000 10 C 2.597770 4.088089 2.795233 1.523657 0.000000 11 H 2.098433 3.646979 3.141571 1.077716 2.142402 12 H 2.091810 4.166995 3.718997 1.081186 2.151425 13 H 2.898895 3.843648 2.291514 2.186258 1.082469 14 H 3.481294 5.061888 3.791143 2.109142 1.083940 15 H 2.950279 4.425575 3.124624 2.190472 1.081131 16 C 1.519361 2.688984 2.562031 2.449856 2.994619 17 C 2.608364 2.791850 3.321586 3.873728 4.481269 18 H 2.088211 2.952596 2.219255 2.665606 2.621818 19 H 2.091132 3.684802 3.499574 2.513347 3.094078 20 H 2.894678 2.234601 3.039264 4.305295 4.859206 21 H 3.480068 3.714537 3.963048 4.550085 4.904334 22 H 2.988479 3.288465 4.134574 4.259560 5.128449 23 C 1.524299 2.699562 3.421248 2.428459 3.856670 24 C 2.620542 2.574409 3.954009 3.831473 5.162583 25 H 2.086994 3.534839 4.136398 2.748581 4.133255 26 H 2.101401 3.327477 3.858004 2.399830 3.903026 27 H 2.937786 2.521724 4.033352 4.347204 5.530978 28 H 3.491962 3.653469 5.002916 4.509199 5.943527 29 H 2.975044 2.356801 3.831115 4.126097 5.368721 11 12 13 14 15 11 H 0.000000 12 H 1.740895 0.000000 13 H 2.531017 3.069988 0.000000 14 H 2.398483 2.453445 1.743930 0.000000 15 H 3.062376 2.504860 1.761879 1.741703 0.000000 16 C 3.370479 2.654667 3.399253 3.967476 2.769767 17 C 4.674772 4.033305 4.746003 5.481036 4.202644 18 H 3.625176 3.067074 2.847940 3.654677 2.194330 19 H 3.508416 2.266006 3.789524 3.881558 2.727500 20 H 4.973640 4.685373 4.892436 5.913466 4.696838 21 H 5.462140 4.627190 5.193454 5.886555 4.394984 22 H 4.971908 4.229189 5.508897 6.052934 4.922283 23 C 2.595739 2.525104 4.271456 4.535356 4.265641 24 C 3.882779 4.046300 5.379202 5.924835 5.552079 25 H 3.134988 2.417185 4.756594 4.747381 4.344016 26 H 2.133253 2.482551 4.324757 4.369020 4.523069 27 H 4.607301 4.557541 5.716713 6.404405 5.744773 28 H 4.468909 4.529574 6.261123 6.604772 6.346965 29 H 3.972310 4.559597 5.391352 6.119547 5.894266 16 17 18 19 20 16 C 0.000000 17 C 1.522692 0.000000 18 H 1.077565 2.135872 0.000000 19 H 1.081311 2.140976 1.747071 0.000000 20 H 2.190895 1.082241 2.552853 3.065222 0.000000 21 H 2.102951 1.084028 2.361887 2.459524 1.744319 22 H 2.182472 1.080483 3.048744 2.460730 1.764927 23 C 2.509108 3.072792 3.408559 2.741549 3.404397 24 C 3.374464 3.277391 4.268818 3.833255 3.251799 25 H 2.507502 3.007634 3.522869 2.331936 3.634188 26 H 3.360462 4.121122 4.136758 3.486607 4.418637 27 H 3.225509 2.653231 4.105576 3.771368 2.511950 28 H 4.209973 4.069769 5.181750 4.467557 4.158382 29 H 3.962092 3.932749 4.691645 4.582566 3.652651 21 22 23 24 25 21 H 0.000000 22 H 1.742286 0.000000 23 C 4.068685 2.898996 0.000000 24 C 4.341005 2.891853 1.526163 0.000000 25 H 3.855307 2.615412 1.081283 2.155082 0.000000 26 H 5.097586 3.969208 1.079052 2.131795 1.740833 27 H 3.660582 2.182934 2.201007 1.078357 2.567363 28 H 5.077139 3.452621 2.104833 1.084244 2.401713 29 H 5.010746 3.742082 2.183639 1.080871 3.065954 26 27 28 29 26 H 0.000000 27 H 3.061961 0.000000 28 H 2.421339 1.743850 0.000000 29 H 2.468227 1.754691 1.741540 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.738562 2.129458 -0.887169 2 6 0 -0.206819 0.713529 -1.078687 3 1 0 -1.780642 2.149303 -0.597554 4 1 0 -0.662298 2.633996 -1.843239 5 1 0 -0.169190 2.706199 -0.170461 6 7 0 -0.091604 -0.125107 0.175186 7 1 0 0.775211 0.737331 -1.521373 8 1 0 -0.851096 0.169278 -1.752265 9 6 0 -1.411719 -0.170074 0.933085 10 6 0 -2.606242 -0.776255 0.207009 11 1 0 -1.634745 0.846282 1.213713 12 1 0 -1.207867 -0.720544 1.841044 13 1 0 -2.847842 -0.259418 -0.712908 14 1 0 -3.459335 -0.671512 0.867454 15 1 0 -2.492180 -1.831127 -0.000551 16 6 0 0.255482 -1.552841 -0.211552 17 6 0 1.633307 -1.820153 -0.802087 18 1 0 -0.499091 -1.856916 -0.918166 19 1 0 0.128975 -2.140540 0.687247 20 1 0 1.853955 -1.213915 -1.671015 21 1 0 1.631502 -2.855258 -1.124065 22 1 0 2.428050 -1.711985 -0.078121 23 6 0 0.928289 0.439423 1.157331 24 6 0 2.191424 1.089389 0.599470 25 1 0 1.186006 -0.387659 1.804395 26 1 0 0.403096 1.166475 1.757265 27 1 0 2.784067 0.441094 -0.026104 28 1 0 2.798055 1.358416 1.456913 29 1 0 1.985638 2.001392 0.057083 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6874671 1.3460889 1.0328117 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 539.6698285961 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.818806490 A.U. after 10 cycles Convg = 0.8946D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000298875 -0.000032701 -0.000012306 2 6 0.000213497 0.000428303 0.000270194 3 1 0.000187484 -0.000015935 0.000108265 4 1 -0.000092432 -0.000054141 -0.000128841 5 1 0.000052329 0.000017838 -0.000318937 6 7 -0.000503059 0.000033562 0.001430423 7 1 -0.000157629 0.000765712 -0.000226988 8 1 0.000092685 -0.000255124 -0.000056781 9 6 -0.000527413 -0.000136160 -0.000044100 10 6 -0.000259355 -0.000170979 0.000092743 11 1 -0.000143343 -0.000345426 -0.000206012 12 1 0.000103130 -0.000238292 0.000260059 13 1 0.000003163 -0.000030302 0.000081332 14 1 -0.000075582 0.000000111 0.000154851 15 1 -0.000064987 -0.000111045 -0.000107518 16 6 0.000168020 0.000459873 -0.000467696 17 6 -0.000003418 0.000105449 0.000104972 18 1 0.000061603 -0.000079817 -0.000075907 19 1 0.000120371 0.000327565 0.000174274 20 1 0.000416887 -0.000166097 -0.000145084 21 1 -0.000314117 -0.000282310 0.000067764 22 1 -0.000106798 -0.000027479 -0.000038458 23 6 0.000953867 -0.001077411 -0.000997860 24 6 -0.000171083 0.000512996 -0.000131523 25 1 -0.000569634 0.000386986 -0.000408498 26 1 0.000064041 0.000110853 0.000379096 27 1 0.000321434 0.000003221 0.000037078 28 1 -0.000024884 -0.000132857 0.000188996 29 1 -0.000043653 0.000003604 0.000016460 ------------------------------------------------------------------- Cartesian Forces: Max 0.001430423 RMS 0.000335707 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.001243801 RMS 0.000293177 Search for a local minimum. Step number 6 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 2 4 3 5 6 DE= -7.03D-04 DEPred=-7.78D-04 R= 9.04D-01 SS= 1.41D+00 RLast= 3.56D-01 DXNew= 7.1352D-01 1.0682D+00 Trust test= 9.04D-01 RLast= 3.56D-01 DXMaxT set to 7.14D-01 Use linear search instead of GDIIS. Eigenvalues --- 0.00220 0.00230 0.00231 0.00255 0.00274 Eigenvalues --- 0.00310 0.00386 0.01005 0.03084 0.03093 Eigenvalues --- 0.03197 0.03622 0.04554 0.04642 0.04655 Eigenvalues --- 0.04714 0.04851 0.04937 0.04984 0.05026 Eigenvalues --- 0.05044 0.05675 0.05798 0.05823 0.05933 Eigenvalues --- 0.06061 0.06477 0.08889 0.09009 0.09179 Eigenvalues --- 0.09186 0.12585 0.12644 0.12757 0.12821 Eigenvalues --- 0.14800 0.15620 0.15921 0.15981 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16042 0.16133 0.16232 0.17819 0.22003 Eigenvalues --- 0.22097 0.23383 0.27476 0.27907 0.28366 Eigenvalues --- 0.28956 0.29443 0.30901 0.31759 0.31967 Eigenvalues --- 0.32113 0.32159 0.32196 0.32288 0.32421 Eigenvalues --- 0.32462 0.32489 0.32521 0.32542 0.32551 Eigenvalues --- 0.32615 0.32743 0.32809 0.32827 0.32852 Eigenvalues --- 0.32877 0.32924 0.33408 0.33722 0.39406 Eigenvalues --- 0.512211000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 RFO step: Lambda=-2.47121415D-04 EMin= 2.19679808D-03 Quartic linear search produced a step of -0.13831. Iteration 1 RMS(Cart)= 0.03869458 RMS(Int)= 0.00059644 Iteration 2 RMS(Cart)= 0.00078388 RMS(Int)= 0.00001121 Iteration 3 RMS(Cart)= 0.00000044 RMS(Int)= 0.00001121 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88100 -0.00037 -0.00002 -0.00205 -0.00206 2.87894 R2 2.04423 0.00001 -0.00031 0.00040 0.00008 2.04431 R3 2.04793 -0.00009 -0.00035 0.00030 -0.00005 2.04788 R4 2.04448 0.00015 -0.00030 0.00124 0.00094 2.04541 R5 2.85891 -0.00036 -0.00006 -0.00032 -0.00038 2.85853 R6 2.03610 -0.00070 -0.00053 -0.00090 -0.00143 2.03468 R7 2.03969 -0.00006 -0.00038 0.00036 -0.00002 2.03966 R8 2.87781 -0.00124 -0.00049 -0.00131 -0.00180 2.87601 R9 2.87118 0.00002 0.00057 -0.00007 0.00050 2.87168 R10 2.88051 0.00032 0.00023 0.00048 0.00071 2.88122 R11 2.87929 -0.00035 -0.00001 -0.00184 -0.00185 2.87745 R12 2.03659 -0.00003 -0.00037 0.00033 -0.00005 2.03654 R13 2.04315 -0.00011 -0.00036 -0.00001 -0.00036 2.04278 R14 2.04557 0.00006 -0.00031 0.00061 0.00030 2.04587 R15 2.04835 -0.00011 -0.00035 0.00026 -0.00009 2.04826 R16 2.04304 -0.00002 -0.00031 0.00030 -0.00001 2.04303 R17 2.87747 0.00034 0.00024 -0.00035 -0.00011 2.87736 R18 2.03630 -0.00006 -0.00037 0.00019 -0.00018 2.03612 R19 2.04338 -0.00012 -0.00035 0.00003 -0.00032 2.04306 R20 2.04514 -0.00035 -0.00040 -0.00022 -0.00062 2.04452 R21 2.04852 -0.00017 -0.00034 0.00005 -0.00029 2.04823 R22 2.04182 0.00009 -0.00060 0.00105 0.00046 2.04227 R23 2.88403 -0.00025 0.00033 -0.00266 -0.00233 2.88170 R24 2.04333 -0.00026 -0.00037 -0.00021 -0.00058 2.04275 R25 2.03911 -0.00015 -0.00035 -0.00006 -0.00041 2.03870 R26 2.03780 0.00015 -0.00076 0.00157 0.00082 2.03862 R27 2.04892 -0.00008 -0.00032 0.00023 -0.00009 2.04883 R28 2.04255 0.00004 -0.00030 0.00094 0.00064 2.04319 A1 1.96781 -0.00028 0.00014 -0.00186 -0.00171 1.96609 A2 1.87237 0.00018 -0.00011 0.00156 0.00145 1.87382 A3 1.97661 -0.00007 0.00011 -0.00161 -0.00151 1.97510 A4 1.87071 0.00005 -0.00008 0.00103 0.00095 1.87166 A5 1.89635 0.00011 -0.00010 0.00062 0.00052 1.89687 A6 1.87466 0.00003 0.00003 0.00052 0.00055 1.87521 A7 2.02337 -0.00119 0.00030 -0.00646 -0.00616 2.01721 A8 1.92729 0.00025 0.00006 -0.00069 -0.00064 1.92664 A9 1.91613 0.00031 0.00002 0.00324 0.00326 1.91939 A10 1.85809 0.00050 0.00019 0.00008 0.00026 1.85835 A11 1.85789 0.00035 -0.00026 0.00155 0.00129 1.85918 A12 1.87421 -0.00016 -0.00036 0.00290 0.00254 1.87675 A13 1.94210 -0.00060 -0.00064 -0.00364 -0.00428 1.93781 A14 1.90428 0.00051 0.00082 0.00493 0.00578 1.91007 A15 1.96024 0.00032 0.00050 -0.00121 -0.00069 1.95955 A16 1.87230 0.00009 -0.00202 0.00413 0.00210 1.87440 A17 1.84448 -0.00006 -0.00194 -0.00066 -0.00262 1.84185 A18 1.93818 -0.00031 0.00305 -0.00360 -0.00054 1.93764 A19 2.04226 -0.00068 0.00024 -0.00421 -0.00397 2.03829 A20 1.85577 0.00002 -0.00016 -0.00176 -0.00192 1.85386 A21 1.84370 0.00008 -0.00044 -0.00014 -0.00058 1.84312 A22 1.91457 0.00039 0.00041 0.00210 0.00250 1.91707 A23 1.92351 0.00029 0.00015 0.00199 0.00214 1.92565 A24 1.87601 -0.00009 -0.00028 0.00234 0.00206 1.87807 A25 1.97143 0.00003 0.00016 -0.00036 -0.00020 1.97122 A26 1.86317 0.00011 -0.00017 0.00096 0.00079 1.86395 A27 1.97900 -0.00024 0.00010 -0.00158 -0.00148 1.97751 A28 1.87130 -0.00005 -0.00002 0.00011 0.00009 1.87139 A29 1.90314 0.00009 -0.00008 0.00030 0.00022 1.90335 A30 1.86951 0.00007 -0.00000 0.00075 0.00074 1.87026 A31 2.06053 -0.00024 0.00331 -0.00720 -0.00389 2.05664 A32 1.84639 0.00021 -0.00140 0.00412 0.00272 1.84911 A33 1.84671 -0.00008 -0.00054 -0.00129 -0.00182 1.84489 A34 1.90687 0.00009 -0.00078 0.00357 0.00279 1.90966 A35 1.91008 0.00016 -0.00026 0.00122 0.00095 1.91103 A36 1.88575 -0.00015 -0.00064 -0.00007 -0.00071 1.88504 A37 1.97962 0.00020 0.00057 -0.00035 0.00022 1.97983 A38 1.85596 0.00051 -0.00059 0.00359 0.00300 1.85896 A39 1.96940 -0.00013 0.00047 -0.00143 -0.00096 1.96845 A40 1.87209 -0.00037 -0.00026 -0.00136 -0.00162 1.87047 A41 1.90914 -0.00005 0.00029 -0.00125 -0.00096 1.90819 A42 1.87112 -0.00018 -0.00064 0.00105 0.00041 1.87153 A43 2.06688 -0.00101 0.00223 -0.01041 -0.00818 2.05870 A44 1.83565 0.00072 0.00047 0.00617 0.00670 1.84234 A45 1.85679 -0.00001 -0.00191 -0.00179 -0.00374 1.85306 A46 1.92542 0.00016 0.00139 0.00326 0.00469 1.93011 A47 1.89559 0.00041 -0.00187 0.00226 0.00033 1.89591 A48 1.87410 -0.00024 -0.00063 0.00127 0.00064 1.87474 A49 1.99421 -0.00049 0.00100 -0.00514 -0.00413 1.99008 A50 1.85425 0.00037 -0.00032 0.00281 0.00249 1.85674 A51 1.96622 0.00009 -0.00009 -0.00047 -0.00057 1.96565 A52 1.87596 0.00000 -0.00012 0.00068 0.00056 1.87652 A53 1.89736 0.00016 -0.00022 0.00124 0.00102 1.89838 A54 1.86921 -0.00011 -0.00034 0.00137 0.00103 1.87023 D1 -1.19105 -0.00002 0.00157 -0.04334 -0.04178 -1.23282 D2 2.97766 -0.00001 0.00104 -0.03820 -0.03715 2.94050 D3 0.91440 -0.00016 0.00144 -0.04334 -0.04190 0.87250 D4 3.03667 -0.00004 0.00166 -0.04454 -0.04288 2.99379 D5 0.92219 -0.00003 0.00113 -0.03940 -0.03826 0.88393 D6 -1.14107 -0.00017 0.00153 -0.04454 -0.04301 -1.18408 D7 0.97125 -0.00015 0.00163 -0.04527 -0.04363 0.92762 D8 -1.14323 -0.00014 0.00111 -0.04012 -0.03901 -1.18224 D9 3.07670 -0.00029 0.00151 -0.04526 -0.04375 3.03294 D10 0.93729 -0.00037 -0.00517 -0.03134 -0.03650 0.90078 D11 2.99980 -0.00030 -0.00753 -0.02535 -0.03289 2.96691 D12 -1.12656 -0.00011 -0.00262 -0.02724 -0.02986 -1.15642 D13 3.08842 -0.00047 -0.00475 -0.03651 -0.04125 3.04717 D14 -1.13225 -0.00040 -0.00710 -0.03052 -0.03763 -1.16988 D15 1.02458 -0.00020 -0.00220 -0.03242 -0.03461 0.98997 D16 -1.19923 -0.00026 -0.00519 -0.03246 -0.03764 -1.23688 D17 0.86328 -0.00019 -0.00754 -0.02647 -0.03403 0.82925 D18 3.02011 0.00001 -0.00264 -0.02837 -0.03100 2.98911 D19 1.06957 -0.00001 -0.00295 -0.03522 -0.03818 1.03139 D20 -1.07590 -0.00007 -0.00352 -0.03372 -0.03725 -1.11315 D21 -3.06603 -0.00001 -0.00295 -0.03553 -0.03848 -3.10451 D22 -1.01212 -0.00034 -0.00235 -0.04169 -0.04405 -1.05617 D23 3.12559 -0.00040 -0.00292 -0.04019 -0.04312 3.08247 D24 1.13546 -0.00035 -0.00234 -0.04200 -0.04435 1.09111 D25 -3.08128 -0.00000 -0.00392 -0.03921 -0.04312 -3.12440 D26 1.05643 -0.00006 -0.00449 -0.03771 -0.04219 1.01424 D27 -0.93369 -0.00001 -0.00391 -0.03952 -0.04342 -0.97712 D28 1.19094 0.00047 0.00351 0.02655 0.03004 1.22098 D29 -0.94923 0.00034 0.00345 0.02335 0.02679 -0.92245 D30 -2.94758 0.00045 0.00501 0.02219 0.02719 -2.92039 D31 -2.98643 0.00009 0.00203 0.02740 0.02943 -2.95701 D32 1.15658 -0.00004 0.00196 0.02421 0.02617 1.18275 D33 -0.84176 0.00007 0.00352 0.02305 0.02657 -0.81519 D34 -0.97892 -0.00009 0.00011 0.02708 0.02721 -0.95171 D35 -3.11909 -0.00022 0.00005 0.02389 0.02395 -3.09513 D36 1.16575 -0.00011 0.00161 0.02273 0.02436 1.19011 D37 -0.63144 -0.00047 -0.01373 0.02398 0.01024 -0.62120 D38 -2.79167 -0.00059 -0.01759 0.02168 0.00410 -2.78757 D39 1.50666 -0.00063 -0.01628 0.01829 0.00203 1.50869 D40 -2.75210 0.00012 -0.01198 0.02958 0.01759 -2.73451 D41 1.37086 -0.00001 -0.01584 0.02727 0.01145 1.38231 D42 -0.61399 -0.00004 -0.01453 0.02388 0.00938 -0.60461 D43 1.50633 0.00020 -0.00997 0.02687 0.01686 1.52319 D44 -0.65390 0.00007 -0.01384 0.02456 0.01072 -0.64318 D45 -2.63875 0.00004 -0.01253 0.02117 0.00865 -2.63010 D46 -1.03233 0.00008 -0.00242 0.02955 0.02714 -1.00519 D47 -3.08471 0.00005 -0.00238 0.02901 0.02664 -3.05808 D48 1.14401 0.00003 -0.00232 0.02837 0.02606 1.17007 D49 1.08260 -0.00008 -0.00212 0.02585 0.02372 1.10632 D50 -0.96978 -0.00010 -0.00208 0.02531 0.02322 -0.94656 D51 -3.02424 -0.00013 -0.00203 0.02467 0.02264 -3.00160 D52 -3.13836 0.00022 -0.00212 0.03120 0.02908 -3.10928 D53 1.09244 0.00020 -0.00208 0.03066 0.02858 1.12102 D54 -0.96202 0.00017 -0.00203 0.03002 0.02800 -0.93402 D55 -0.96296 -0.00018 -0.00156 -0.01027 -0.01183 -0.97478 D56 -3.01628 -0.00018 -0.00118 -0.01071 -0.01190 -3.02817 D57 1.22040 -0.00020 -0.00029 -0.01345 -0.01374 1.20666 D58 1.14633 0.00000 -0.00169 -0.00699 -0.00868 1.13765 D59 -0.90699 0.00001 -0.00131 -0.00743 -0.00875 -0.91574 D60 -2.95350 -0.00002 -0.00042 -0.01017 -0.01059 -2.96409 D61 -3.07535 -0.00003 -0.00307 -0.00427 -0.00733 -3.08268 D62 1.15452 -0.00002 -0.00269 -0.00472 -0.00741 1.14711 D63 -0.89199 -0.00005 -0.00180 -0.00745 -0.00925 -0.90124 D64 -1.01317 -0.00021 -0.00328 0.00964 0.00637 -1.00679 D65 -3.07839 -0.00017 -0.00349 0.00987 0.00639 -3.07200 D66 1.16340 -0.00032 -0.00283 0.00674 0.00392 1.16732 D67 1.10190 0.00015 0.00036 0.01296 0.01330 1.11520 D68 -0.96332 0.00019 0.00015 0.01318 0.01332 -0.95001 D69 -3.00471 0.00005 0.00081 0.01005 0.01085 -2.99387 D70 -3.13165 0.00020 -0.00073 0.01770 0.01697 -3.11468 D71 1.08630 0.00023 -0.00094 0.01793 0.01699 1.10329 D72 -0.95508 0.00009 -0.00028 0.01479 0.01452 -0.94057 Item Value Threshold Converged? Maximum Force 0.001244 0.000450 NO RMS Force 0.000293 0.000300 YES Maximum Displacement 0.143877 0.001800 NO RMS Displacement 0.038763 0.001200 NO Predicted change in Energy=-1.513675D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.102108 3.357349 1.016988 2 6 0 -3.991649 2.320895 1.133606 3 1 0 -4.728894 4.341351 0.766493 4 1 0 -5.578101 3.431922 1.987689 5 1 0 -5.866395 3.083790 0.301035 6 7 0 -3.331518 1.921821 -0.167602 7 1 0 -4.369474 1.414383 1.574939 8 1 0 -3.206754 2.692066 1.774818 9 6 0 -2.874463 3.146942 -0.946331 10 6 0 -1.880306 4.068929 -0.253408 11 1 0 -3.767984 3.694804 -1.197100 12 1 0 -2.455035 2.766393 -1.867098 13 1 0 -2.245941 4.449831 0.691741 14 1 0 -1.734317 4.920588 -0.907768 15 1 0 -0.911230 3.614906 -0.099826 16 6 0 -2.098048 1.084560 0.127030 17 6 0 -2.306629 -0.317857 0.682121 18 1 0 -1.508255 1.660371 0.820953 19 1 0 -1.554317 1.026256 -0.805612 20 1 0 -2.896670 -0.338442 1.588745 21 1 0 -1.323418 -0.699814 0.931503 22 1 0 -2.738822 -0.994353 -0.041431 23 6 0 -4.286549 1.180496 -1.096573 24 6 0 -5.313753 0.245320 -0.467520 25 1 0 -3.656452 0.641638 -1.790203 26 1 0 -4.809365 1.939214 -1.657728 27 1 0 -4.883019 -0.536017 0.138919 28 1 0 -5.837619 -0.230447 -1.288917 29 1 0 -6.052814 0.773403 0.118938 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523468 0.000000 3 H 1.081803 2.181867 0.000000 4 H 1.083693 2.116759 1.743426 0.000000 5 H 1.082386 2.188574 1.758414 1.746171 0.000000 6 N 2.568848 1.512671 2.946068 3.460176 2.827613 7 H 2.150157 1.076704 3.057762 2.387803 2.578861 8 H 2.146922 1.079343 2.460442 2.493189 3.065808 9 C 2.976793 2.501319 2.792722 3.999918 3.242155 10 C 3.535570 3.072002 3.037904 4.370581 4.143285 11 H 2.606904 2.714744 2.279708 3.672670 2.649731 12 H 3.959062 3.400569 3.819257 5.005582 4.054494 13 H 3.075222 2.788388 2.486445 3.717379 3.889268 14 H 4.182155 4.002644 3.479390 5.037308 4.680716 15 H 4.344775 3.561573 3.981557 5.115749 4.999644 16 C 3.870654 2.475367 4.235203 4.591614 4.269384 17 C 4.629684 3.163249 5.251924 5.144694 4.938458 18 H 3.979188 2.588685 4.190839 4.589478 4.614089 19 H 4.619814 3.373017 4.851733 5.457160 4.904298 20 H 4.341628 2.911736 5.092505 4.643799 4.710535 21 H 5.544941 4.035466 6.085873 6.024043 5.945738 22 H 5.063860 3.733786 5.751771 5.636554 5.150753 23 C 3.141809 2.522136 3.695630 4.031091 2.841082 24 C 3.454458 2.935911 4.317675 4.031422 2.992157 25 H 4.164772 3.388350 4.623278 5.074533 3.901440 26 H 3.041531 2.933578 3.413735 4.013502 2.502823 27 H 3.997162 3.153710 4.919993 4.432339 3.754506 28 H 4.327869 3.973105 5.133743 4.921020 3.675995 29 H 2.896052 2.769961 3.860356 3.284099 2.325038 6 7 8 9 10 6 N 0.000000 7 H 2.090764 0.000000 8 H 2.093284 1.739064 0.000000 9 C 1.521920 3.404941 2.778845 0.000000 10 C 2.592962 4.072520 2.787277 1.522678 0.000000 11 H 2.096147 3.639547 3.186339 1.077691 2.143327 12 H 2.090409 4.164208 3.719429 1.080994 2.151954 13 H 2.882322 3.808329 2.277269 2.185369 1.082627 14 H 3.477284 5.039976 3.785584 2.108848 1.083893 15 H 2.954476 4.427934 3.104087 2.188572 1.081126 16 C 1.519626 2.713779 2.555094 2.451192 3.016389 17 C 2.605491 2.837801 3.326236 3.870287 4.505647 18 H 2.090427 2.969104 2.204347 2.683228 2.663423 19 H 2.089866 3.707125 3.487705 2.501979 3.109511 20 H 2.895278 2.289485 3.052008 4.309873 4.883793 21 H 3.480441 3.763283 3.970262 4.552970 4.945204 22 H 2.978470 3.327715 4.136110 4.241176 5.139923 23 C 1.524674 2.683012 3.419895 2.425586 3.852788 24 C 2.613400 2.535746 3.931169 3.820838 5.143382 25 H 2.092196 3.525580 4.137131 2.756841 4.154847 26 H 2.098763 3.304404 3.862320 2.389254 3.884222 27 H 2.922684 2.475872 3.988302 4.333158 5.511418 28 H 3.488573 3.614219 4.984877 4.506042 5.934410 29 H 2.967562 2.316123 3.810940 4.107360 5.330005 11 12 13 14 15 11 H 0.000000 12 H 1.742033 0.000000 13 H 2.540551 3.070071 0.000000 14 H 2.392083 2.465827 1.744076 0.000000 15 H 3.061281 2.495307 1.762138 1.742139 0.000000 16 C 3.369774 2.632973 3.415525 3.989764 2.804042 17 C 4.665670 4.004140 4.768083 5.504234 4.245610 18 H 3.649360 3.057007 2.888245 3.697106 2.241536 19 H 3.489231 2.228480 3.800167 3.899828 2.759131 20 H 4.978673 4.666678 4.914836 5.936416 4.735209 21 H 5.460725 4.596446 5.237115 5.927957 4.455373 22 H 4.937908 4.190084 5.515397 6.061856 4.958707 23 C 2.569193 2.542287 4.248610 4.531867 4.279327 24 C 3.849756 4.060406 5.332285 5.904601 5.556215 25 H 3.112239 2.442110 4.759403 4.773124 4.385652 26 H 2.092545 2.504182 4.288862 4.348212 4.520007 27 H 4.574723 4.563455 5.667316 6.386268 5.749981 28 H 4.438401 4.556008 6.223194 6.596629 6.361602 29 H 3.935351 4.567315 5.323205 6.074759 5.878597 16 17 18 19 20 16 C 0.000000 17 C 1.522631 0.000000 18 H 1.077471 2.137770 0.000000 19 H 1.081141 2.141486 1.746408 0.000000 20 H 2.190740 1.081914 2.551951 3.065494 0.000000 21 H 2.105046 1.083876 2.369992 2.459715 1.742894 22 H 2.181938 1.080725 3.050502 2.463714 1.764259 23 C 2.509172 3.054325 3.409707 2.752007 3.383765 24 C 3.376177 3.268278 4.259618 3.854546 3.226654 25 H 2.510097 2.975742 3.531389 2.352939 3.599322 26 H 3.356640 4.102798 4.137504 3.486392 4.402920 27 H 3.222185 2.642054 4.083910 3.796458 2.467107 28 H 4.209339 4.044814 5.173986 4.489940 4.116039 29 H 3.966996 3.942326 4.683221 4.599479 3.654829 21 22 23 24 25 21 H 0.000000 22 H 1.742620 0.000000 23 C 4.053246 2.870323 0.000000 24 C 4.332819 2.889397 1.524929 0.000000 25 H 3.827562 2.564511 1.080978 2.157129 0.000000 26 H 5.081379 3.937687 1.078834 2.130793 1.740822 27 H 3.650450 2.200041 2.197415 1.078790 2.571546 28 H 5.052581 3.426706 2.105605 1.084196 2.401938 29 H 5.019743 3.759418 2.182403 1.081210 3.066714 26 27 28 29 26 H 0.000000 27 H 3.059434 0.000000 28 H 2.429147 1.744519 0.000000 29 H 2.462078 1.755961 1.742434 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.888320 2.066061 -0.869780 2 6 0 -0.247780 0.699292 -1.076192 3 1 0 -1.940170 2.000574 -0.625608 4 1 0 -0.809038 2.605143 -1.806527 5 1 0 -0.392605 2.658476 -0.111578 6 7 0 -0.076597 -0.137017 0.172590 7 1 0 0.732301 0.805868 -1.509059 8 1 0 -0.842858 0.112631 -1.759341 9 6 0 -1.384942 -0.242371 0.942899 10 6 0 -2.568465 -0.853259 0.204902 11 1 0 -1.628762 0.758238 1.260312 12 1 0 -1.155694 -0.819365 1.827813 13 1 0 -2.814698 -0.325552 -0.707773 14 1 0 -3.424903 -0.771137 0.864138 15 1 0 -2.437541 -1.902888 -0.018645 16 6 0 0.336820 -1.546847 -0.215645 17 6 0 1.735977 -1.746986 -0.781956 18 1 0 -0.392049 -1.881518 -0.935151 19 1 0 0.221124 -2.142597 0.679097 20 1 0 1.940982 -1.133509 -1.649226 21 1 0 1.794238 -2.781304 -1.100669 22 1 0 2.511527 -1.594971 -0.044814 23 6 0 0.922484 0.477091 1.146932 24 6 0 2.131964 1.203120 0.567752 25 1 0 1.237315 -0.333685 1.788833 26 1 0 0.362351 1.170874 1.754220 27 1 0 2.742308 0.592662 -0.079249 28 1 0 2.744955 1.497812 1.412074 29 1 0 1.860965 2.106769 0.039553 --------------------------------------------------------------------- Rotational constants (GHZ): 1.7071398 1.3459925 1.0328475 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 540.2778671448 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.818800732 A.U. after 10 cycles Convg = 0.5718D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000462314 0.000147249 0.000383929 2 6 0.000571112 -0.000375022 -0.000089371 3 1 -0.000149003 -0.000192264 -0.000145761 4 1 -0.000157796 0.000107578 -0.000180626 5 1 -0.000048707 0.000035875 0.000019406 6 7 -0.000114118 0.000587703 0.000129700 7 1 0.000362915 0.000266090 0.000401991 8 1 -0.000184423 -0.000312225 -0.000000452 9 6 -0.000226174 -0.000334688 0.000449487 10 6 0.000167831 0.000076816 0.000041132 11 1 0.000262716 0.000163535 0.000005024 12 1 -0.000162048 0.000200293 -0.000138383 13 1 0.000384200 0.000010819 -0.000352617 14 1 0.000194705 -0.000012713 0.000136936 15 1 0.000074429 -0.000391444 0.000176403 16 6 -0.000229600 0.000464970 -0.000631936 17 6 0.000129175 0.000080956 0.000220685 18 1 0.000229066 0.000371126 0.000018128 19 1 0.000153974 -0.000113155 0.000224874 20 1 0.000071517 0.000180797 0.000157201 21 1 -0.000103339 -0.000151976 -0.000090689 22 1 0.000012315 -0.000001908 0.000017541 23 6 -0.000016628 0.000084338 0.000008194 24 6 -0.000215100 -0.000519371 -0.000428015 25 1 -0.000088392 0.000348858 -0.000097294 26 1 -0.000125969 -0.000514790 -0.000132861 27 1 -0.000230767 -0.000006986 -0.000092350 28 1 -0.000119572 -0.000147052 0.000217602 29 1 0.000019994 -0.000053411 -0.000227879 ------------------------------------------------------------------- Cartesian Forces: Max 0.000631936 RMS 0.000245659 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.001355633 RMS 0.000321861 Search for a local minimum. Step number 7 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 DE= 5.76D-06 DEPred=-1.51D-04 R=-3.80D-02 Trust test=-3.80D-02 RLast= 2.42D-01 DXMaxT set to 3.57D-01 Eigenvalues --- 0.00157 0.00230 0.00230 0.00256 0.00283 Eigenvalues --- 0.00361 0.00744 0.01033 0.03091 0.03212 Eigenvalues --- 0.03293 0.03654 0.04555 0.04639 0.04672 Eigenvalues --- 0.04726 0.04940 0.04969 0.05006 0.05038 Eigenvalues --- 0.05083 0.05760 0.05817 0.05859 0.05910 Eigenvalues --- 0.06231 0.06642 0.08829 0.08940 0.09089 Eigenvalues --- 0.09139 0.12539 0.12608 0.12732 0.12817 Eigenvalues --- 0.14812 0.15593 0.15809 0.15975 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16018 Eigenvalues --- 0.16083 0.16186 0.16194 0.18030 0.21965 Eigenvalues --- 0.22377 0.23696 0.27422 0.27882 0.28365 Eigenvalues --- 0.29116 0.29336 0.30779 0.31812 0.31994 Eigenvalues --- 0.32130 0.32149 0.32193 0.32294 0.32421 Eigenvalues --- 0.32470 0.32494 0.32523 0.32541 0.32551 Eigenvalues --- 0.32604 0.32733 0.32816 0.32831 0.32840 Eigenvalues --- 0.32921 0.32963 0.33457 0.34022 0.38789 Eigenvalues --- 0.509911000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 7 6 RFO step: Lambda=-4.94570287D-05. DIIS coeffs: 0.47576 0.52424 Iteration 1 RMS(Cart)= 0.02877737 RMS(Int)= 0.00034561 Iteration 2 RMS(Cart)= 0.00050492 RMS(Int)= 0.00000394 Iteration 3 RMS(Cart)= 0.00000010 RMS(Int)= 0.00000394 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.87894 0.00066 0.00108 0.00015 0.00123 2.88017 R2 2.04431 -0.00019 -0.00004 0.00034 0.00030 2.04461 R3 2.04788 -0.00009 0.00002 0.00049 0.00052 2.04840 R4 2.04541 0.00001 -0.00049 0.00123 0.00074 2.04616 R5 2.85853 0.00028 0.00020 0.00095 0.00115 2.85968 R6 2.03468 -0.00019 0.00075 -0.00086 -0.00011 2.03456 R7 2.03966 -0.00024 0.00001 0.00039 0.00040 2.04006 R8 2.87601 -0.00019 0.00094 -0.00143 -0.00049 2.87553 R9 2.87168 -0.00026 -0.00026 0.00014 -0.00012 2.87155 R10 2.88122 0.00134 -0.00037 0.00294 0.00257 2.88379 R11 2.87745 0.00035 0.00097 -0.00016 0.00081 2.87825 R12 2.03654 -0.00014 0.00002 0.00057 0.00060 2.03714 R13 2.04278 -0.00002 0.00019 0.00059 0.00078 2.04356 R14 2.04587 -0.00043 -0.00016 0.00029 0.00014 2.04600 R15 2.04826 -0.00007 0.00005 0.00047 0.00052 2.04878 R16 2.04303 0.00026 0.00001 0.00080 0.00080 2.04384 R17 2.87736 -0.00000 0.00006 0.00049 0.00055 2.87791 R18 2.03612 0.00034 0.00009 0.00104 0.00113 2.03726 R19 2.04306 -0.00011 0.00017 0.00063 0.00080 2.04386 R20 2.04452 0.00009 0.00032 0.00026 0.00058 2.04510 R21 2.04823 -0.00006 0.00015 0.00025 0.00040 2.04863 R22 2.04227 -0.00002 -0.00024 0.00092 0.00068 2.04296 R23 2.88170 0.00059 0.00122 0.00005 0.00127 2.88297 R24 2.04275 -0.00016 0.00030 0.00009 0.00039 2.04314 R25 2.03870 -0.00023 0.00022 0.00035 0.00056 2.03927 R26 2.03862 -0.00014 -0.00043 0.00077 0.00034 2.03896 R27 2.04883 -0.00004 0.00005 0.00056 0.00060 2.04944 R28 2.04319 -0.00016 -0.00034 0.00073 0.00039 2.04358 A1 1.96609 0.00004 0.00090 -0.00128 -0.00038 1.96571 A2 1.87382 0.00035 -0.00076 0.00269 0.00193 1.87575 A3 1.97510 -0.00003 0.00079 -0.00098 -0.00019 1.97491 A4 1.87166 -0.00008 -0.00050 0.00037 -0.00012 1.87154 A5 1.89687 -0.00010 -0.00027 -0.00032 -0.00059 1.89628 A6 1.87521 -0.00018 -0.00029 -0.00034 -0.00063 1.87458 A7 2.01721 -0.00010 0.00323 -0.00398 -0.00074 2.01646 A8 1.92664 -0.00017 0.00034 -0.00128 -0.00093 1.92571 A9 1.91939 0.00031 -0.00171 0.00326 0.00155 1.92094 A10 1.85835 0.00025 -0.00014 0.00127 0.00114 1.85949 A11 1.85918 -0.00008 -0.00068 0.00144 0.00076 1.85994 A12 1.87675 -0.00023 -0.00133 -0.00054 -0.00187 1.87488 A13 1.93781 0.00042 0.00225 -0.00100 0.00125 1.93906 A14 1.91007 -0.00007 -0.00303 0.00382 0.00079 1.91085 A15 1.95955 -0.00002 0.00036 0.00321 0.00358 1.96313 A16 1.87440 -0.00083 -0.00110 -0.00414 -0.00525 1.86915 A17 1.84185 0.00025 0.00137 -0.00265 -0.00127 1.84058 A18 1.93764 0.00023 0.00028 0.00016 0.00043 1.93808 A19 2.03829 -0.00089 0.00208 -0.00389 -0.00181 2.03648 A20 1.85386 0.00053 0.00101 0.00191 0.00291 1.85677 A21 1.84312 0.00030 0.00030 -0.00211 -0.00182 1.84131 A22 1.91707 0.00042 -0.00131 0.00482 0.00351 1.92058 A23 1.92565 -0.00012 -0.00112 -0.00127 -0.00240 1.92325 A24 1.87807 -0.00019 -0.00108 0.00071 -0.00036 1.87770 A25 1.97122 0.00043 0.00011 0.00112 0.00122 1.97245 A26 1.86395 0.00033 -0.00041 0.00239 0.00197 1.86593 A27 1.97751 -0.00049 0.00078 -0.00264 -0.00186 1.97566 A28 1.87139 -0.00024 -0.00005 -0.00057 -0.00062 1.87078 A29 1.90335 -0.00008 -0.00011 -0.00039 -0.00050 1.90286 A30 1.87026 0.00005 -0.00039 0.00021 -0.00018 1.87008 A31 2.05664 -0.00009 0.00204 -0.00246 -0.00042 2.05622 A32 1.84911 -0.00006 -0.00143 0.00109 -0.00034 1.84877 A33 1.84489 0.00016 0.00095 -0.00022 0.00073 1.84563 A34 1.90966 0.00001 -0.00146 0.00130 -0.00016 1.90950 A35 1.91103 0.00007 -0.00050 0.00158 0.00109 1.91212 A36 1.88504 -0.00010 0.00037 -0.00139 -0.00101 1.88402 A37 1.97983 -0.00027 -0.00011 -0.00027 -0.00038 1.97945 A38 1.85896 0.00023 -0.00157 0.00334 0.00176 1.86072 A39 1.96845 0.00005 0.00050 -0.00037 0.00013 1.96858 A40 1.87047 -0.00001 0.00085 -0.00188 -0.00103 1.86944 A41 1.90819 0.00013 0.00050 -0.00006 0.00044 1.90862 A42 1.87153 -0.00013 -0.00021 -0.00080 -0.00101 1.87052 A43 2.05870 0.00136 0.00429 -0.00191 0.00238 2.06108 A44 1.84234 -0.00060 -0.00351 0.00395 0.00042 1.84277 A45 1.85306 -0.00001 0.00196 -0.00220 -0.00023 1.85283 A46 1.93011 -0.00025 -0.00246 0.00279 0.00031 1.93043 A47 1.89591 -0.00061 -0.00017 -0.00112 -0.00127 1.89465 A48 1.87474 0.00006 -0.00034 -0.00168 -0.00202 1.87273 A49 1.99008 0.00025 0.00217 -0.00196 0.00020 1.99028 A50 1.85674 0.00034 -0.00131 0.00332 0.00201 1.85875 A51 1.96565 -0.00013 0.00030 -0.00039 -0.00009 1.96555 A52 1.87652 -0.00028 -0.00029 -0.00088 -0.00118 1.87535 A53 1.89838 -0.00004 -0.00054 0.00057 0.00003 1.89841 A54 1.87023 -0.00018 -0.00054 -0.00056 -0.00110 1.86914 D1 -1.23282 0.00014 0.02190 -0.03392 -0.01202 -1.24484 D2 2.94050 0.00001 0.01948 -0.03174 -0.01227 2.92824 D3 0.87250 0.00021 0.02196 -0.03232 -0.01035 0.86215 D4 2.99379 0.00000 0.02248 -0.03536 -0.01288 2.98091 D5 0.88393 -0.00013 0.02006 -0.03318 -0.01312 0.87081 D6 -1.18408 0.00007 0.02255 -0.03376 -0.01121 -1.19528 D7 0.92762 0.00001 0.02287 -0.03613 -0.01326 0.91436 D8 -1.18224 -0.00012 0.02045 -0.03396 -0.01351 -1.19574 D9 3.03294 0.00008 0.02294 -0.03453 -0.01159 3.02135 D10 0.90078 0.00078 0.01914 -0.00429 0.01485 0.91563 D11 2.96691 -0.00003 0.01724 -0.00760 0.00964 2.97655 D12 -1.15642 0.00021 0.01565 -0.00237 0.01328 -1.14313 D13 3.04717 0.00070 0.02163 -0.00760 0.01402 3.06119 D14 -1.16988 -0.00011 0.01973 -0.01092 0.00881 -1.16107 D15 0.98997 0.00012 0.01814 -0.00569 0.01245 1.00243 D16 -1.23688 0.00051 0.01973 -0.00697 0.01277 -1.22411 D17 0.82925 -0.00030 0.01784 -0.01028 0.00755 0.83681 D18 2.98911 -0.00007 0.01625 -0.00505 0.01120 3.00031 D19 1.03139 0.00041 0.02001 0.02371 0.04372 1.07511 D20 -1.11315 0.00004 0.01953 0.01852 0.03805 -1.07510 D21 -3.10451 -0.00011 0.02017 0.01782 0.03800 -3.06651 D22 -1.05617 0.00076 0.02309 0.02220 0.04529 -1.01088 D23 3.08247 0.00039 0.02261 0.01701 0.03962 3.12210 D24 1.09111 0.00025 0.02325 0.01632 0.03957 1.13068 D25 -3.12440 0.00077 0.02260 0.02537 0.04797 -3.07643 D26 1.01424 0.00040 0.02212 0.02019 0.04230 1.05655 D27 -0.97712 0.00025 0.02276 0.01949 0.04225 -0.93487 D28 1.22098 -0.00024 -0.01575 -0.00298 -0.01873 1.20225 D29 -0.92245 -0.00015 -0.01404 -0.00392 -0.01796 -0.94040 D30 -2.92039 -0.00008 -0.01425 -0.00273 -0.01699 -2.93737 D31 -2.95701 -0.00027 -0.01543 -0.00446 -0.01989 -2.97690 D32 1.18275 -0.00018 -0.01372 -0.00540 -0.01912 1.16363 D33 -0.81519 -0.00011 -0.01393 -0.00421 -0.01815 -0.83334 D34 -0.95171 -0.00032 -0.01427 -0.00989 -0.02416 -0.97586 D35 -3.09513 -0.00023 -0.01256 -0.01083 -0.02339 -3.11852 D36 1.19011 -0.00016 -0.01277 -0.00964 -0.02241 1.16770 D37 -0.62120 0.00012 -0.00537 0.00169 -0.00367 -0.62487 D38 -2.78757 0.00001 -0.00215 -0.00395 -0.00610 -2.79368 D39 1.50869 0.00022 -0.00106 -0.00285 -0.00392 1.50477 D40 -2.73451 -0.00054 -0.00922 0.00279 -0.00642 -2.74093 D41 1.38231 -0.00065 -0.00600 -0.00286 -0.00886 1.37345 D42 -0.60461 -0.00044 -0.00492 -0.00175 -0.00667 -0.61129 D43 1.52319 0.00019 -0.00884 0.00910 0.00027 1.52346 D44 -0.64318 0.00008 -0.00562 0.00345 -0.00217 -0.64535 D45 -2.63010 0.00028 -0.00453 0.00456 0.00002 -2.63008 D46 -1.00519 -0.00022 -0.01423 0.00869 -0.00553 -1.01072 D47 -3.05808 -0.00039 -0.01396 0.00724 -0.00672 -3.06480 D48 1.17007 -0.00038 -0.01366 0.00694 -0.00671 1.16335 D49 1.10632 0.00018 -0.01243 0.01231 -0.00012 1.10620 D50 -0.94656 0.00001 -0.01217 0.01085 -0.00132 -0.94788 D51 -3.00160 0.00002 -0.01187 0.01056 -0.00131 -3.00291 D52 -3.10928 0.00013 -0.01524 0.01537 0.00012 -3.10916 D53 1.12102 -0.00004 -0.01498 0.01392 -0.00107 1.11995 D54 -0.93402 -0.00003 -0.01468 0.01362 -0.00106 -0.93509 D55 -0.97478 0.00005 0.00620 -0.01466 -0.00846 -0.98325 D56 -3.02817 0.00006 0.00624 -0.01436 -0.00812 -3.03630 D57 1.20666 0.00005 0.00721 -0.01527 -0.00807 1.19859 D58 1.13765 -0.00009 0.00455 -0.01391 -0.00936 1.12830 D59 -0.91574 -0.00007 0.00459 -0.01360 -0.00902 -0.92475 D60 -2.96409 -0.00008 0.00555 -0.01451 -0.00896 -2.97305 D61 -3.08268 -0.00016 0.00385 -0.01389 -0.01004 -3.09273 D62 1.14711 -0.00015 0.00388 -0.01358 -0.00970 1.13741 D63 -0.90124 -0.00016 0.00485 -0.01449 -0.00965 -0.91089 D64 -1.00679 0.00017 -0.00334 0.01270 0.00935 -0.99744 D65 -3.07200 0.00014 -0.00335 0.01271 0.00935 -3.06265 D66 1.16732 0.00021 -0.00205 0.01155 0.00949 1.17681 D67 1.11520 0.00017 -0.00697 0.01901 0.01204 1.12724 D68 -0.95001 0.00014 -0.00698 0.01902 0.01203 -0.93797 D69 -2.99387 0.00022 -0.00569 0.01786 0.01217 -2.98170 D70 -3.11468 -0.00027 -0.00890 0.01790 0.00901 -3.10568 D71 1.10329 -0.00030 -0.00891 0.01791 0.00901 1.11230 D72 -0.94057 -0.00023 -0.00761 0.01675 0.00914 -0.93143 Item Value Threshold Converged? Maximum Force 0.001356 0.000450 NO RMS Force 0.000322 0.000300 NO Maximum Displacement 0.142647 0.001800 NO RMS Displacement 0.028772 0.001200 NO Predicted change in Energy=-1.264355D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.126281 3.343090 1.021753 2 6 0 -4.000972 2.321775 1.138111 3 1 0 -4.765696 4.333954 0.779260 4 1 0 -5.610491 3.405521 1.989547 5 1 0 -5.882211 3.063185 0.298820 6 7 0 -3.339410 1.928786 -0.164927 7 1 0 -4.366019 1.411922 1.583160 8 1 0 -3.219218 2.703329 1.777418 9 6 0 -2.882471 3.156360 -0.939349 10 6 0 -1.844473 4.043485 -0.264499 11 1 0 -3.770915 3.726931 -1.156645 12 1 0 -2.498445 2.779776 -1.877513 13 1 0 -2.170456 4.420430 0.696689 14 1 0 -1.694427 4.900955 -0.910756 15 1 0 -0.883692 3.561039 -0.146602 16 6 0 -2.101018 1.097597 0.125885 17 6 0 -2.301055 -0.298166 0.701318 18 1 0 -1.504566 1.683529 0.806448 19 1 0 -1.566423 1.029402 -0.811844 20 1 0 -2.873695 -0.306750 1.619585 21 1 0 -1.314414 -0.680515 0.937111 22 1 0 -2.747989 -0.982695 -0.006084 23 6 0 -4.289417 1.187526 -1.101305 24 6 0 -5.313639 0.240653 -0.483351 25 1 0 -3.655333 0.659007 -1.799564 26 1 0 -4.816147 1.947345 -1.657865 27 1 0 -4.881012 -0.538040 0.125460 28 1 0 -5.826766 -0.239595 -1.309326 29 1 0 -6.063251 0.760463 0.097462 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524120 0.000000 3 H 1.081959 2.182301 0.000000 4 H 1.083966 2.118962 1.743692 0.000000 5 H 1.082779 2.189328 1.758489 1.746306 0.000000 6 N 2.569314 1.513280 2.951375 3.461260 2.822722 7 H 2.150020 1.076643 3.056840 2.385016 2.583610 8 H 2.148770 1.079554 2.459034 2.501252 3.067129 9 C 2.985878 2.502682 2.808359 4.010313 3.246565 10 C 3.593781 3.095495 3.115662 4.435157 4.193047 11 H 2.594180 2.700611 2.259601 3.658671 2.648870 12 H 3.953301 3.400198 3.822870 5.003054 4.033190 13 H 3.162788 2.819574 2.597993 3.812527 3.972095 14 H 4.235464 4.021216 3.551103 5.097415 4.730540 15 H 4.405918 3.592172 4.065043 5.189408 5.042961 16 C 3.872600 2.476498 4.242807 4.595232 4.265075 17 C 4.619884 3.153506 5.247577 5.131199 4.928019 18 H 3.989651 2.597961 4.202435 4.606908 4.617890 19 H 4.624697 3.376328 4.866932 5.463353 4.898559 20 H 4.330459 2.900296 5.081530 4.626866 4.706597 21 H 5.543184 4.033825 6.089430 6.021594 5.940326 22 H 5.042334 3.714656 5.740615 5.606505 5.126935 23 C 3.139135 2.526798 3.696400 4.027171 2.831155 24 C 3.453340 2.946744 4.318511 4.027373 2.983581 25 H 4.162670 3.393258 4.624768 5.071819 3.891308 26 H 3.037210 2.936357 3.411455 4.007603 2.492029 27 H 3.990823 3.158872 4.917019 4.422514 3.741828 28 H 4.331310 3.985485 5.138620 4.920997 3.673904 29 H 2.898653 2.788124 3.862426 3.283490 2.318588 6 7 8 9 10 6 N 0.000000 7 H 2.092101 0.000000 8 H 2.094533 1.737994 0.000000 9 C 1.521663 3.406909 2.774790 0.000000 10 C 2.591660 4.086216 2.802743 1.523107 0.000000 11 H 2.098339 3.635925 3.156083 1.078008 2.146465 12 H 2.089104 4.163546 3.726108 1.081408 2.150919 13 H 2.883943 3.828505 2.283925 2.186655 1.082699 14 H 3.477933 5.052759 3.792206 2.110895 1.084166 15 H 2.948752 4.442678 3.145187 2.187997 1.081552 16 C 1.519560 2.711583 2.560529 2.446200 2.982695 17 C 2.605356 2.822432 3.318130 3.868279 4.471152 18 H 2.090543 2.977409 2.218740 2.667519 2.613782 19 H 2.090664 3.704067 3.498292 2.504434 3.075970 20 H 2.898102 2.276443 3.033954 4.305966 4.851145 21 H 3.481889 3.756057 3.973009 4.549891 4.903163 22 H 2.975186 3.298167 4.121858 4.245096 5.113277 23 C 1.526035 2.694916 3.424913 2.425290 3.851557 24 C 2.617015 2.557405 3.944927 3.823591 5.152139 25 H 2.093844 3.537623 4.142976 2.752100 4.134045 26 H 2.099991 3.315650 3.863013 2.391043 3.894370 27 H 2.923370 2.488465 3.999624 4.333194 5.510263 28 H 3.492630 3.637000 4.998810 4.509797 5.940968 29 H 2.975422 2.347827 3.832167 4.114930 5.357922 11 12 13 14 15 11 H 0.000000 12 H 1.742392 0.000000 13 H 2.545046 3.070153 0.000000 14 H 2.398040 2.465859 1.743958 0.000000 15 H 3.063293 2.492759 1.762231 1.742584 0.000000 16 C 3.368507 2.645993 3.372219 3.963013 2.761282 17 C 4.670538 4.020331 4.720406 5.477010 4.197779 18 H 3.628438 3.064833 2.818880 3.651940 2.195184 19 H 3.500762 2.251250 3.760266 3.874931 2.705153 20 H 4.978256 4.679439 4.867495 5.908764 4.694605 21 H 5.462947 4.614938 5.177862 5.891675 4.398947 22 H 4.954870 4.209597 5.479160 6.045309 4.913335 23 C 2.592389 2.518996 4.263150 4.534295 4.259575 24 C 3.871363 4.039326 5.361215 5.916061 5.546421 25 H 3.136696 2.417050 4.752310 4.757022 4.340054 26 H 2.123831 2.472434 4.319694 4.362009 4.511333 27 H 4.589780 4.549333 5.679774 6.388327 5.731930 28 H 4.470253 4.529588 6.253682 6.607597 6.342770 29 H 3.953165 4.548185 5.376642 6.103015 5.893269 16 17 18 19 20 16 C 0.000000 17 C 1.522923 0.000000 18 H 1.078070 2.138355 0.000000 19 H 1.081564 2.142845 1.746591 0.000000 20 H 2.190972 1.082221 2.548905 3.066938 0.000000 21 H 2.106778 1.084089 2.375276 2.458896 1.742649 22 H 2.182568 1.081087 3.052058 2.468579 1.765078 23 C 2.510612 3.067624 3.411881 2.742898 3.411799 24 C 3.380304 3.281681 4.272529 3.843392 3.267310 25 H 2.513088 3.000777 3.530827 2.340156 3.637887 26 H 3.357940 4.115064 4.136303 3.481247 4.426707 27 H 3.225473 2.654304 4.098719 3.784431 2.513011 28 H 4.210596 4.059157 5.182308 4.473072 4.159766 29 H 3.976651 3.954675 4.704924 4.595718 3.691757 21 22 23 24 25 21 H 0.000000 22 H 1.742431 0.000000 23 C 4.061448 2.878431 0.000000 24 C 4.342817 2.882173 1.525603 0.000000 25 H 3.842344 2.595193 1.081185 2.158104 0.000000 26 H 5.089369 3.948517 1.079133 2.130675 1.739938 27 H 3.660559 2.182844 2.198298 1.078972 2.576999 28 H 5.059862 3.424836 2.107935 1.084515 2.400613 29 H 5.033178 3.747036 2.183096 1.081418 3.067094 26 27 28 29 26 H 0.000000 27 H 3.059672 0.000000 28 H 2.434243 1.744171 0.000000 29 H 2.458684 1.756298 1.742152 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.792077 2.110765 -0.878535 2 6 0 -0.218949 0.713185 -1.081605 3 1 0 -1.847911 2.097448 -0.642585 4 1 0 -0.678663 2.648000 -1.813147 5 1 0 -0.273707 2.676658 -0.114685 6 7 0 -0.084838 -0.125207 0.171044 7 1 0 0.763527 0.771483 -1.518071 8 1 0 -0.842140 0.152622 -1.761927 9 6 0 -1.399186 -0.181679 0.935739 10 6 0 -2.584996 -0.806534 0.212368 11 1 0 -1.631002 0.832751 1.217331 12 1 0 -1.182984 -0.730971 1.841817 13 1 0 -2.821348 -0.310030 -0.720293 14 1 0 -3.445581 -0.694252 0.862140 15 1 0 -2.461375 -1.864874 0.026926 16 6 0 0.271908 -1.552300 -0.210009 17 6 0 1.654764 -1.807054 -0.794904 18 1 0 -0.479300 -1.866425 -0.916584 19 1 0 0.146771 -2.136798 0.691369 20 1 0 1.864963 -1.214509 -1.675762 21 1 0 1.676189 -2.847704 -1.097950 22 1 0 2.447032 -1.668599 -0.072484 23 6 0 0.932225 0.450490 1.152337 24 6 0 2.176976 1.124850 0.583742 25 1 0 1.206593 -0.369884 1.800928 26 1 0 0.396415 1.169177 1.753107 27 1 0 2.763151 0.491215 -0.063626 28 1 0 2.799456 1.387846 1.431990 29 1 0 1.949796 2.042956 0.059400 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6905269 1.3507081 1.0336386 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 539.9747042538 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.818890996 A.U. after 10 cycles Convg = 0.4976D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000339784 0.000294623 0.000274238 2 6 0.000143231 -0.000386403 -0.000396516 3 1 -0.000019608 -0.000175923 -0.000076378 4 1 0.000105038 0.000038831 -0.000304877 5 1 0.000202208 0.000089983 0.000255882 6 7 0.000460747 0.000146240 -0.000294180 7 1 0.000163104 -0.000027230 0.000020247 8 1 -0.000171517 -0.000203790 -0.000224969 9 6 0.000141506 -0.000311933 -0.000089039 10 6 0.000098234 0.000537321 -0.000117426 11 1 0.000354142 -0.000154141 0.000016059 12 1 -0.000094392 0.000382584 0.000136100 13 1 0.000063529 -0.000040216 -0.000141589 14 1 -0.000029924 -0.000205685 0.000184769 15 1 -0.000306803 0.000215107 -0.000074825 16 6 -0.000157033 -0.000153110 0.000096211 17 6 -0.000012449 -0.000218047 -0.000089545 18 1 -0.000326827 -0.000362766 -0.000107962 19 1 -0.000085982 -0.000027218 0.000372354 20 1 0.000012768 0.000166735 -0.000138735 21 1 -0.000151048 0.000098881 -0.000150108 22 1 0.000188406 0.000180379 0.000239273 23 6 -0.000520716 0.000336919 0.000209001 24 6 -0.000013008 -0.000464313 -0.000066767 25 1 0.000049819 0.000312766 0.000354921 26 1 0.000058886 -0.000295485 0.000047257 27 1 -0.000225086 0.000127638 -0.000055533 28 1 0.000139942 0.000133027 0.000208131 29 1 0.000272618 -0.000034776 -0.000085992 ------------------------------------------------------------------- Cartesian Forces: Max 0.000537321 RMS 0.000221795 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000726368 RMS 0.000181533 Search for a local minimum. Step number 8 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 DE= -9.03D-05 DEPred=-1.26D-04 R= 7.14D-01 SS= 1.41D+00 RLast= 1.56D-01 DXNew= 6.0000D-01 4.6834D-01 Trust test= 7.14D-01 RLast= 1.56D-01 DXMaxT set to 4.68D-01 Eigenvalues --- 0.00198 0.00230 0.00236 0.00259 0.00296 Eigenvalues --- 0.00382 0.00780 0.01081 0.03157 0.03201 Eigenvalues --- 0.03385 0.03840 0.04623 0.04652 0.04689 Eigenvalues --- 0.04805 0.04946 0.05007 0.05025 0.05050 Eigenvalues --- 0.05091 0.05764 0.05809 0.05850 0.05910 Eigenvalues --- 0.06645 0.06722 0.08868 0.08990 0.09086 Eigenvalues --- 0.09276 0.12522 0.12586 0.12730 0.12938 Eigenvalues --- 0.14798 0.15513 0.15786 0.15966 0.15999 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16073 Eigenvalues --- 0.16082 0.16169 0.16276 0.18018 0.21911 Eigenvalues --- 0.23249 0.24356 0.27355 0.27857 0.28365 Eigenvalues --- 0.29172 0.29350 0.31435 0.31759 0.32099 Eigenvalues --- 0.32118 0.32155 0.32218 0.32302 0.32424 Eigenvalues --- 0.32480 0.32522 0.32536 0.32541 0.32552 Eigenvalues --- 0.32656 0.32739 0.32824 0.32837 0.32921 Eigenvalues --- 0.32943 0.33328 0.33781 0.33990 0.39868 Eigenvalues --- 0.512661000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 8 7 6 RFO step: Lambda=-1.15335711D-05. DIIS coeffs: 0.58619 0.20751 0.20630 Iteration 1 RMS(Cart)= 0.00804001 RMS(Int)= 0.00004024 Iteration 2 RMS(Cart)= 0.00004869 RMS(Int)= 0.00000101 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000101 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.88017 0.00019 -0.00008 0.00054 0.00046 2.88062 R2 2.04461 -0.00015 -0.00014 -0.00033 -0.00047 2.04413 R3 2.04840 -0.00032 -0.00020 -0.00056 -0.00077 2.04763 R4 2.04616 -0.00034 -0.00050 -0.00029 -0.00079 2.04537 R5 2.85968 -0.00052 -0.00040 -0.00084 -0.00124 2.85844 R6 2.03456 -0.00002 0.00034 -0.00048 -0.00013 2.03443 R7 2.04006 -0.00033 -0.00016 -0.00065 -0.00081 2.03925 R8 2.87553 0.00045 0.00057 -0.00004 0.00053 2.87606 R9 2.87155 -0.00022 -0.00005 -0.00027 -0.00032 2.87123 R10 2.88379 -0.00028 -0.00121 0.00043 -0.00078 2.88301 R11 2.87825 0.00011 0.00005 0.00026 0.00030 2.87856 R12 2.03714 -0.00038 -0.00024 -0.00065 -0.00089 2.03625 R13 2.04356 -0.00028 -0.00025 -0.00049 -0.00074 2.04282 R14 2.04600 -0.00016 -0.00012 -0.00044 -0.00056 2.04544 R15 2.04878 -0.00028 -0.00020 -0.00050 -0.00069 2.04809 R16 2.04384 -0.00038 -0.00033 -0.00042 -0.00075 2.04308 R17 2.87791 -0.00027 -0.00020 -0.00028 -0.00048 2.87743 R18 2.03726 -0.00045 -0.00043 -0.00050 -0.00093 2.03633 R19 2.04386 -0.00036 -0.00026 -0.00066 -0.00092 2.04294 R20 2.04510 -0.00013 -0.00011 -0.00028 -0.00039 2.04471 R21 2.04863 -0.00020 -0.00011 -0.00041 -0.00052 2.04811 R22 2.04296 -0.00035 -0.00038 -0.00059 -0.00097 2.04199 R23 2.88297 0.00003 -0.00005 0.00035 0.00030 2.88328 R24 2.04314 -0.00035 -0.00004 -0.00074 -0.00079 2.04236 R25 2.03927 -0.00026 -0.00015 -0.00057 -0.00072 2.03855 R26 2.03896 -0.00021 -0.00031 -0.00050 -0.00081 2.03815 R27 2.04944 -0.00028 -0.00023 -0.00047 -0.00070 2.04873 R28 2.04358 -0.00025 -0.00029 -0.00031 -0.00060 2.04298 A1 1.96571 -0.00009 0.00051 -0.00055 -0.00004 1.96567 A2 1.87575 0.00012 -0.00110 0.00139 0.00029 1.87604 A3 1.97491 0.00002 0.00039 -0.00050 -0.00011 1.97480 A4 1.87154 0.00001 -0.00014 0.00043 0.00029 1.87183 A5 1.89628 -0.00000 0.00014 -0.00047 -0.00033 1.89595 A6 1.87458 -0.00006 0.00015 -0.00021 -0.00007 1.87452 A7 2.01646 0.00024 0.00158 -0.00024 0.00134 2.01781 A8 1.92571 0.00007 0.00052 0.00033 0.00085 1.92656 A9 1.92094 -0.00004 -0.00131 0.00080 -0.00052 1.92042 A10 1.85949 -0.00009 -0.00053 0.00097 0.00045 1.85994 A11 1.85994 -0.00019 -0.00058 -0.00074 -0.00132 1.85862 A12 1.87488 -0.00001 0.00025 -0.00126 -0.00101 1.87387 A13 1.93906 -0.00008 0.00037 -0.00015 0.00022 1.93928 A14 1.91085 -0.00021 -0.00152 -0.00060 -0.00212 1.90874 A15 1.96313 0.00002 -0.00134 -0.00023 -0.00156 1.96157 A16 1.86915 0.00039 0.00174 -0.00020 0.00154 1.87069 A17 1.84058 0.00003 0.00107 0.00020 0.00126 1.84184 A18 1.93808 -0.00012 -0.00007 0.00101 0.00095 1.93902 A19 2.03648 0.00073 0.00157 0.00064 0.00222 2.03869 A20 1.85677 -0.00024 -0.00081 0.00023 -0.00058 1.85619 A21 1.84131 -0.00000 0.00087 0.00111 0.00198 1.84329 A22 1.92058 -0.00033 -0.00197 -0.00026 -0.00223 1.91835 A23 1.92325 -0.00022 0.00055 -0.00073 -0.00017 1.92307 A24 1.87770 0.00005 -0.00028 -0.00108 -0.00135 1.87635 A25 1.97245 0.00002 -0.00047 0.00063 0.00017 1.97262 A26 1.86593 0.00001 -0.00098 0.00075 -0.00023 1.86570 A27 1.97566 0.00004 0.00107 -0.00088 0.00019 1.97585 A28 1.87078 -0.00003 0.00024 -0.00018 0.00005 1.87083 A29 1.90286 -0.00002 0.00016 -0.00026 -0.00010 1.90275 A30 1.87008 -0.00004 -0.00008 -0.00003 -0.00011 1.86996 A31 2.05622 -0.00008 0.00098 0.00064 0.00162 2.05784 A32 1.84877 0.00005 -0.00042 -0.00059 -0.00101 1.84776 A33 1.84563 0.00013 0.00007 0.00133 0.00140 1.84703 A34 1.90950 -0.00008 -0.00051 -0.00137 -0.00188 1.90762 A35 1.91212 -0.00003 -0.00065 0.00047 -0.00018 1.91194 A36 1.88402 0.00003 0.00057 -0.00054 0.00002 1.88405 A37 1.97945 -0.00023 0.00011 -0.00081 -0.00069 1.97876 A38 1.86072 -0.00008 -0.00135 0.00043 -0.00092 1.85980 A39 1.96858 0.00011 0.00014 0.00040 0.00054 1.96912 A40 1.86944 0.00016 0.00076 0.00009 0.00085 1.87028 A41 1.90862 0.00007 0.00002 0.00055 0.00056 1.90919 A42 1.87052 -0.00002 0.00034 -0.00069 -0.00035 1.87017 A43 2.06108 0.00007 0.00070 0.00112 0.00183 2.06291 A44 1.84277 -0.00030 -0.00156 -0.00070 -0.00226 1.84051 A45 1.85283 0.00014 0.00086 0.00033 0.00120 1.85403 A46 1.93043 0.00013 -0.00110 0.00135 0.00025 1.93068 A47 1.89465 -0.00007 0.00046 -0.00129 -0.00082 1.89382 A48 1.87273 0.00001 0.00070 -0.00103 -0.00033 1.87239 A49 1.99028 0.00025 0.00077 0.00103 0.00180 1.99208 A50 1.85875 -0.00001 -0.00135 0.00094 -0.00041 1.85835 A51 1.96555 -0.00021 0.00016 -0.00127 -0.00112 1.96444 A52 1.87535 -0.00005 0.00037 -0.00019 0.00018 1.87553 A53 1.89841 -0.00005 -0.00022 -0.00033 -0.00056 1.89786 A54 1.86914 0.00009 0.00024 -0.00017 0.00007 1.86921 D1 -1.24484 0.00014 0.01359 0.00211 0.01570 -1.22914 D2 2.92824 0.00003 0.01274 0.00074 0.01348 2.94172 D3 0.86215 0.00003 0.01293 0.00159 0.01452 0.87667 D4 2.98091 0.00010 0.01418 0.00101 0.01519 2.99610 D5 0.87081 -0.00001 0.01332 -0.00036 0.01297 0.88377 D6 -1.19528 -0.00001 0.01351 0.00049 0.01400 -1.18128 D7 0.91436 0.00008 0.01449 0.00066 0.01514 0.92950 D8 -1.19574 -0.00003 0.01364 -0.00071 0.01292 -1.18282 D9 3.02135 -0.00003 0.01382 0.00014 0.01396 3.03531 D10 0.91563 -0.00020 0.00139 -0.00054 0.00084 0.91647 D11 2.97655 0.00010 0.00280 -0.00125 0.00155 2.97810 D12 -1.14313 -0.00020 0.00066 -0.00054 0.00012 -1.14302 D13 3.06119 -0.00002 0.00271 0.00046 0.00317 3.06436 D14 -1.16107 0.00027 0.00412 -0.00024 0.00388 -1.15720 D15 1.00243 -0.00002 0.00199 0.00046 0.00245 1.00487 D16 -1.22411 -0.00016 0.00248 -0.00086 0.00162 -1.22249 D17 0.83681 0.00013 0.00389 -0.00157 0.00233 0.83914 D18 3.00031 -0.00016 0.00176 -0.00086 0.00090 3.00121 D19 1.07511 -0.00021 -0.01022 -0.00213 -0.01235 1.06276 D20 -1.07510 -0.00008 -0.00806 -0.00241 -0.01048 -1.08558 D21 -3.06651 -0.00003 -0.00779 -0.00179 -0.00958 -3.07609 D22 -1.01088 -0.00014 -0.00965 -0.00120 -0.01085 -1.02173 D23 3.12210 -0.00002 -0.00750 -0.00148 -0.00898 3.11311 D24 1.13068 0.00004 -0.00722 -0.00086 -0.00808 1.12260 D25 -3.07643 -0.00021 -0.01096 -0.00237 -0.01332 -3.08975 D26 1.05655 -0.00008 -0.00880 -0.00265 -0.01145 1.04510 D27 -0.93487 -0.00003 -0.00853 -0.00203 -0.01055 -0.94542 D28 1.20225 -0.00008 0.00155 -0.00128 0.00027 1.20252 D29 -0.94040 0.00004 0.00190 0.00056 0.00247 -0.93793 D30 -2.93737 -0.00007 0.00142 0.00085 0.00227 -2.93510 D31 -2.97690 -0.00007 0.00216 -0.00192 0.00024 -2.97665 D32 1.16363 0.00005 0.00251 -0.00007 0.00244 1.16608 D33 -0.83334 -0.00006 0.00203 0.00021 0.00224 -0.83109 D34 -0.97586 0.00012 0.00438 -0.00127 0.00311 -0.97275 D35 -3.11852 0.00024 0.00474 0.00057 0.00531 -3.11321 D36 1.16770 0.00013 0.00425 0.00086 0.00511 1.17281 D37 -0.62487 0.00001 -0.00059 -0.00559 -0.00618 -0.63105 D38 -2.79368 0.00004 0.00168 -0.00759 -0.00591 -2.79959 D39 1.50477 0.00009 0.00120 -0.00626 -0.00506 1.49971 D40 -2.74093 0.00008 -0.00097 -0.00541 -0.00638 -2.74731 D41 1.37345 0.00010 0.00130 -0.00741 -0.00611 1.36734 D42 -0.61129 0.00016 0.00083 -0.00608 -0.00526 -0.61654 D43 1.52346 -0.00033 -0.00359 -0.00578 -0.00937 1.51409 D44 -0.64535 -0.00031 -0.00131 -0.00779 -0.00910 -0.65445 D45 -2.63008 -0.00026 -0.00179 -0.00646 -0.00825 -2.63833 D46 -1.01072 0.00013 -0.00331 0.00225 -0.00106 -1.01178 D47 -3.06480 0.00014 -0.00271 0.00164 -0.00108 -3.06587 D48 1.16335 0.00016 -0.00260 0.00170 -0.00090 1.16245 D49 1.10620 0.00008 -0.00484 0.00282 -0.00202 1.10418 D50 -0.94788 0.00009 -0.00425 0.00221 -0.00204 -0.94991 D51 -3.00291 0.00010 -0.00413 0.00227 -0.00186 -3.00477 D52 -3.10916 -0.00021 -0.00605 0.00089 -0.00516 -3.11432 D53 1.11995 -0.00020 -0.00545 0.00028 -0.00517 1.11478 D54 -0.93509 -0.00018 -0.00534 0.00034 -0.00500 -0.94008 D55 -0.98325 0.00005 0.00594 -0.00224 0.00370 -0.97954 D56 -3.03630 0.00004 0.00582 -0.00217 0.00365 -3.03265 D57 1.19859 0.00005 0.00617 -0.00182 0.00435 1.20294 D58 1.12830 -0.00000 0.00566 -0.00369 0.00197 1.13026 D59 -0.92475 -0.00002 0.00553 -0.00362 0.00191 -0.92284 D60 -2.97305 -0.00000 0.00589 -0.00328 0.00261 -2.97043 D61 -3.09273 -0.00004 0.00567 -0.00489 0.00078 -3.09194 D62 1.13741 -0.00005 0.00554 -0.00482 0.00072 1.13814 D63 -0.91089 -0.00004 0.00590 -0.00447 0.00143 -0.90946 D64 -0.99744 0.00017 -0.00519 0.00308 -0.00211 -0.99955 D65 -3.06265 0.00010 -0.00519 0.00209 -0.00310 -3.06575 D66 1.17681 0.00012 -0.00473 0.00241 -0.00233 1.17448 D67 1.12724 -0.00007 -0.00772 0.00415 -0.00358 1.12366 D68 -0.93797 -0.00013 -0.00773 0.00316 -0.00457 -0.94254 D69 -2.98170 -0.00012 -0.00727 0.00348 -0.00380 -2.98549 D70 -3.10568 -0.00002 -0.00723 0.00290 -0.00433 -3.11001 D71 1.11230 -0.00008 -0.00723 0.00191 -0.00532 1.10698 D72 -0.93143 -0.00007 -0.00678 0.00223 -0.00455 -0.93598 Item Value Threshold Converged? Maximum Force 0.000726 0.000450 NO RMS Force 0.000182 0.000300 YES Maximum Displacement 0.030240 0.001800 NO RMS Displacement 0.008038 0.001200 NO Predicted change in Energy=-1.918629D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.121962 3.344718 1.022730 2 6 0 -3.997710 2.321541 1.136054 3 1 0 -4.761926 4.331792 0.765526 4 1 0 -5.594489 3.418345 1.995046 5 1 0 -5.886757 3.059540 0.311908 6 7 0 -3.337963 1.927994 -0.166974 7 1 0 -4.361902 1.412186 1.582648 8 1 0 -3.214399 2.702096 1.773323 9 6 0 -2.878409 3.155014 -0.941275 10 6 0 -1.850207 4.050570 -0.262216 11 1 0 -3.766733 3.721671 -1.166815 12 1 0 -2.486359 2.779211 -1.875975 13 1 0 -2.186116 4.431489 0.693639 14 1 0 -1.698331 4.904637 -0.911928 15 1 0 -0.888667 3.573418 -0.133148 16 6 0 -2.102585 1.093339 0.125835 17 6 0 -2.305108 -0.301913 0.700967 18 1 0 -1.507629 1.677137 0.808756 19 1 0 -1.564803 1.024467 -0.809458 20 1 0 -2.881729 -0.309307 1.616505 21 1 0 -1.319347 -0.683220 0.940833 22 1 0 -2.748116 -0.987058 -0.007526 23 6 0 -4.291302 1.188958 -1.101045 24 6 0 -5.312064 0.237553 -0.483931 25 1 0 -3.658210 0.664860 -1.802882 26 1 0 -4.821613 1.948821 -1.653393 27 1 0 -4.877968 -0.545118 0.117937 28 1 0 -5.829327 -0.236606 -1.310355 29 1 0 -6.058170 0.754166 0.103615 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524361 0.000000 3 H 1.081709 2.182299 0.000000 4 H 1.083560 2.119092 1.743349 0.000000 5 H 1.082361 2.189146 1.757737 1.745599 0.000000 6 N 2.570049 1.512623 2.945416 3.462280 2.829501 7 H 2.150785 1.076572 3.058072 2.390400 2.579483 8 H 2.148290 1.079124 2.463007 2.495396 3.066757 9 C 2.987781 2.502560 2.801003 4.008543 3.260329 10 C 3.585205 3.091354 3.100556 4.417532 4.195890 11 H 2.602469 2.704981 2.257565 3.664705 2.668247 12 H 3.958370 3.400877 3.816575 5.005374 4.053163 13 H 3.147787 2.815934 2.578741 3.786440 3.965187 14 H 4.230543 4.019174 3.539438 5.083268 4.737623 15 H 4.394217 3.583883 4.047825 5.167013 5.044110 16 C 3.871662 2.473969 4.238972 4.592711 4.268551 17 C 4.619103 3.152256 5.245126 5.131763 4.927367 18 H 3.986228 2.592852 4.199942 4.597990 4.618946 19 H 4.625349 3.374382 4.862157 5.462075 4.906962 20 H 4.327021 2.897862 5.079282 4.625770 4.699074 21 H 5.539934 4.029929 6.085428 6.017561 5.938437 22 H 5.045875 3.717000 5.739618 5.614242 5.131088 23 C 3.138107 2.524590 3.685510 4.031655 2.835664 24 C 3.458416 2.948710 4.315854 4.042589 2.987849 25 H 4.160324 3.390752 4.610999 5.074950 3.895286 26 H 3.033211 2.932363 3.396069 4.008484 2.496124 27 H 4.001126 3.166884 4.921087 4.443645 3.748178 28 H 4.332382 3.985456 5.130194 4.933507 3.674182 29 H 2.903828 2.787130 3.862355 3.300055 2.321103 6 7 8 9 10 6 N 0.000000 7 H 2.091814 0.000000 8 H 2.092666 1.736947 0.000000 9 C 1.521943 3.407108 2.772556 0.000000 10 C 2.593804 4.083283 2.796931 1.523267 0.000000 11 H 2.097810 3.639710 3.160540 1.077538 2.144655 12 H 2.090571 4.165152 3.722011 1.081016 2.150642 13 H 2.887022 3.826300 2.283393 2.186688 1.082401 14 H 3.479045 5.051211 3.789489 2.110599 1.083800 15 H 2.950867 4.436016 3.130952 2.187968 1.081153 16 C 1.519389 2.707117 2.557039 2.447679 2.993242 17 C 2.606261 2.818848 3.316750 3.869881 4.480934 18 H 2.089282 2.969172 2.212237 2.669414 2.626314 19 H 2.091230 3.700846 3.493761 2.506425 3.088402 20 H 2.897319 2.270594 3.033778 4.306247 4.858205 21 H 3.481448 3.749639 3.967950 4.550279 4.913035 22 H 2.978401 3.299899 4.122948 4.248014 5.123359 23 C 1.525621 2.693886 3.422177 2.426349 3.853752 24 C 2.618230 2.559945 3.945804 3.826672 5.154873 25 H 2.091474 3.537724 4.139631 2.747967 4.135887 26 H 2.100260 3.312290 3.859137 2.395423 3.896405 27 H 2.927298 2.498548 4.006515 4.337181 5.516539 28 H 3.492808 3.638862 4.998289 4.510790 5.942379 29 H 2.974999 2.344750 3.830064 4.119071 5.357897 11 12 13 14 15 11 H 0.000000 12 H 1.740833 0.000000 13 H 2.542337 3.069705 0.000000 14 H 2.396385 2.463293 1.743459 0.000000 15 H 3.061652 2.494160 1.761600 1.741896 0.000000 16 C 3.368748 2.645126 3.387126 3.970689 2.773348 17 C 4.670566 4.020797 4.734904 5.484321 4.209542 18 H 3.631329 3.062721 2.839023 3.662497 2.205942 19 H 3.500159 2.250744 3.775332 3.883819 2.722445 20 H 4.977839 4.678961 4.879621 5.914272 4.702035 21 H 5.462137 4.613540 5.193519 5.899195 4.411109 22 H 4.955165 4.212410 5.492552 6.052443 4.926588 23 C 2.587303 2.527299 4.262242 4.534924 4.266193 24 C 3.872139 4.047521 5.361653 5.918102 5.551350 25 H 3.124173 2.418482 4.752597 4.755065 4.349493 26 H 2.119558 2.488474 4.314863 4.363658 4.518686 27 H 4.592485 4.554848 5.687189 6.393007 5.739329 28 H 4.465743 4.537677 6.251407 6.607288 6.349191 29 H 3.958631 4.558225 5.372489 6.104583 5.893046 16 17 18 19 20 16 C 0.000000 17 C 1.522669 0.000000 18 H 1.077578 2.136406 0.000000 19 H 1.081077 2.142130 1.745813 0.000000 20 H 2.190109 1.082015 2.546874 3.065704 0.000000 21 H 2.105669 1.083815 2.371535 2.457633 1.742808 22 H 2.182326 1.080574 3.050092 2.467703 1.764845 23 C 2.510948 3.068372 3.410937 2.746976 3.408338 24 C 3.377121 3.276704 4.268158 3.842808 3.258438 25 H 2.514660 3.005793 3.531340 2.344902 3.639249 26 H 3.360151 4.116018 4.137448 3.489050 4.422049 27 H 3.222942 2.649279 4.095709 3.781629 2.507246 28 H 4.209514 4.058300 5.179780 4.475195 4.154531 29 H 3.970162 3.944313 4.696437 4.593159 3.675539 21 22 23 24 25 21 H 0.000000 22 H 1.741574 0.000000 23 C 4.062860 2.883098 0.000000 24 C 4.338152 2.881053 1.525765 0.000000 25 H 3.849100 2.603921 1.080768 2.158115 0.000000 26 H 5.091513 3.953182 1.078754 2.129935 1.739083 27 H 3.655134 2.178835 2.199344 1.078545 2.577091 28 H 5.060358 3.428470 2.107502 1.084142 2.401869 29 H 5.022295 3.741747 2.182217 1.081098 3.066352 26 27 28 29 26 H 0.000000 27 H 3.059496 0.000000 28 H 2.430896 1.743640 0.000000 29 H 2.458323 1.755341 1.741640 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.806911 2.102876 -0.880560 2 6 0 -0.224117 0.708541 -1.080205 3 1 0 -1.858938 2.082177 -0.629750 4 1 0 -0.711074 2.633508 -1.820426 5 1 0 -0.283461 2.679160 -0.128629 6 7 0 -0.084056 -0.127164 0.172793 7 1 0 0.757193 0.771512 -1.518468 8 1 0 -0.843970 0.142428 -1.758295 9 6 0 -1.398293 -0.193177 0.937472 10 6 0 -2.585411 -0.812417 0.211089 11 1 0 -1.631985 0.818108 1.226919 12 1 0 -1.182356 -0.748023 1.839754 13 1 0 -2.825054 -0.307203 -0.715692 14 1 0 -3.443907 -0.707698 0.864268 15 1 0 -2.461236 -1.868339 0.014874 16 6 0 0.284686 -1.550634 -0.209708 17 6 0 1.669157 -1.795555 -0.794322 18 1 0 -0.462407 -1.868258 -0.918327 19 1 0 0.162482 -2.138565 0.689253 20 1 0 1.876165 -1.198207 -1.672433 21 1 0 1.695537 -2.834737 -1.101012 22 1 0 2.460042 -1.656502 -0.071268 23 6 0 0.929090 0.458432 1.151636 24 6 0 2.173124 1.134541 0.583119 25 1 0 1.204208 -0.358015 1.804157 26 1 0 0.390676 1.178036 1.748285 27 1 0 2.765830 0.500724 -0.057375 28 1 0 2.789991 1.407130 1.431963 29 1 0 1.942698 2.047273 0.051521 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6942165 1.3475221 1.0331854 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 539.9588110392 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Harris functional with IExCor= 205 diagonalized for initial guess. ExpMin= 1.61D-01 ExpMax= 4.17D+03 ExpMxC= 6.27D+02 IAcc=1 IRadAn= 1 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 1 IDoV= 1 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T Omega= 0.000000 0.000000 1.000000 0.000000 0.000000 ICntrl= 500 IOpCl= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 I1Cent= 4 NGrid= 0. Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -368.818909405 A.U. after 9 cycles Convg = 0.4364D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000004927 0.000012340 0.000030434 2 6 0.000020618 0.000035438 -0.000091128 3 1 0.000016804 -0.000007193 -0.000012322 4 1 0.000019369 -0.000011735 -0.000027464 5 1 0.000006512 -0.000023277 0.000002715 6 7 0.000027079 0.000046545 -0.000010963 7 1 -0.000021022 -0.000048635 -0.000019826 8 1 -0.000029844 0.000010565 0.000041724 9 6 -0.000063486 -0.000050186 0.000007734 10 6 0.000012632 -0.000005941 0.000039377 11 1 -0.000032525 -0.000017845 0.000000146 12 1 0.000002611 -0.000031395 0.000001932 13 1 0.000003441 0.000009146 0.000002796 14 1 -0.000022681 -0.000031671 -0.000009934 15 1 0.000008062 -0.000029140 0.000017249 16 6 -0.000048456 0.000030667 0.000048371 17 6 -0.000054880 -0.000037275 -0.000042325 18 1 0.000028005 0.000029543 -0.000003486 19 1 -0.000035069 0.000016661 -0.000015970 20 1 0.000007561 0.000017020 -0.000010120 21 1 0.000003703 0.000011590 -0.000021093 22 1 -0.000008799 -0.000010761 0.000007063 23 6 -0.000026427 -0.000006158 -0.000053094 24 6 0.000070052 -0.000016767 0.000047598 25 1 0.000062047 0.000010071 0.000005768 26 1 -0.000000097 0.000031325 0.000010483 27 1 -0.000005673 -0.000007336 0.000032636 28 1 0.000034986 0.000026615 -0.000004071 29 1 0.000020553 0.000047791 0.000025769 ------------------------------------------------------------------- Cartesian Forces: Max 0.000091128 RMS 0.000029390 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000243895 RMS 0.000042037 Search for a local minimum. Step number 9 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 DE= -1.84D-05 DEPred=-1.92D-05 R= 9.59D-01 SS= 1.41D+00 RLast= 6.17D-02 DXNew= 7.8766D-01 1.8500D-01 Trust test= 9.59D-01 RLast= 6.17D-02 DXMaxT set to 4.68D-01 Eigenvalues --- 0.00199 0.00229 0.00235 0.00261 0.00303 Eigenvalues --- 0.00390 0.00795 0.01081 0.03186 0.03206 Eigenvalues --- 0.03409 0.03852 0.04628 0.04645 0.04696 Eigenvalues --- 0.04851 0.04934 0.05003 0.05021 0.05049 Eigenvalues --- 0.05162 0.05763 0.05810 0.05836 0.05916 Eigenvalues --- 0.06676 0.06707 0.08887 0.09045 0.09099 Eigenvalues --- 0.09297 0.12560 0.12618 0.12727 0.12835 Eigenvalues --- 0.14973 0.15429 0.15735 0.15947 0.15987 Eigenvalues --- 0.16000 0.16000 0.16000 0.16001 0.16064 Eigenvalues --- 0.16092 0.16200 0.16239 0.18083 0.21959 Eigenvalues --- 0.23185 0.24880 0.27355 0.27884 0.28363 Eigenvalues --- 0.29288 0.29408 0.31496 0.32021 0.32116 Eigenvalues --- 0.32152 0.32191 0.32293 0.32358 0.32433 Eigenvalues --- 0.32490 0.32518 0.32540 0.32548 0.32555 Eigenvalues --- 0.32707 0.32740 0.32822 0.32843 0.32920 Eigenvalues --- 0.32945 0.33406 0.33909 0.35614 0.38750 Eigenvalues --- 0.518511000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 9 8 7 6 RFO step: Lambda=-5.43897204D-07. DIIS coeffs: 0.87094 0.06538 0.03946 0.02422 Iteration 1 RMS(Cart)= 0.00166987 RMS(Int)= 0.00000151 Iteration 2 RMS(Cart)= 0.00000186 RMS(Int)= 0.00000015 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000015 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.88062 -0.00005 -0.00009 0.00001 -0.00008 2.88054 R2 2.04413 0.00000 0.00004 -0.00004 0.00000 2.04414 R3 2.04763 -0.00003 0.00007 -0.00018 -0.00011 2.04752 R4 2.04537 -0.00000 0.00003 -0.00007 -0.00004 2.04533 R5 2.85844 -0.00008 0.00010 -0.00041 -0.00031 2.85813 R6 2.03443 0.00004 0.00006 0.00007 0.00013 2.03456 R7 2.03925 0.00001 0.00008 -0.00009 -0.00001 2.03924 R8 2.87606 -0.00018 0.00001 -0.00052 -0.00051 2.87554 R9 2.87123 -0.00013 0.00004 -0.00039 -0.00036 2.87087 R10 2.88301 -0.00018 -0.00008 -0.00039 -0.00047 2.88254 R11 2.87856 -0.00001 -0.00005 0.00007 0.00002 2.87858 R12 2.03625 0.00002 0.00008 -0.00006 0.00002 2.03627 R13 2.04282 0.00001 0.00005 -0.00003 0.00002 2.04284 R14 2.04544 0.00000 0.00006 -0.00007 -0.00001 2.04543 R15 2.04809 -0.00002 0.00006 -0.00014 -0.00008 2.04801 R16 2.04308 0.00002 0.00005 0.00000 0.00005 2.04313 R17 2.87743 -0.00000 0.00003 -0.00006 -0.00003 2.87740 R18 2.03633 0.00003 0.00005 0.00002 0.00007 2.03640 R19 2.04294 -0.00000 0.00008 -0.00012 -0.00004 2.04290 R20 2.04471 -0.00001 0.00003 -0.00006 -0.00003 2.04468 R21 2.04811 -0.00001 0.00005 -0.00006 -0.00002 2.04810 R22 2.04199 0.00001 0.00007 -0.00011 -0.00004 2.04195 R23 2.88328 -0.00007 -0.00006 -0.00005 -0.00011 2.88316 R24 2.04236 0.00003 0.00009 -0.00003 0.00006 2.04241 R25 2.03855 0.00002 0.00007 -0.00004 0.00003 2.03858 R26 2.03815 0.00002 0.00006 -0.00006 -0.00000 2.03815 R27 2.04873 -0.00003 0.00005 -0.00014 -0.00009 2.04864 R28 2.04298 0.00002 0.00004 -0.00001 0.00003 2.04301 A1 1.96567 -0.00002 0.00007 -0.00018 -0.00010 1.96557 A2 1.87604 -0.00001 -0.00020 0.00026 0.00007 1.87610 A3 1.97480 -0.00003 0.00006 -0.00026 -0.00020 1.97461 A4 1.87183 0.00002 -0.00005 0.00023 0.00018 1.87201 A5 1.89595 0.00002 0.00007 -0.00002 0.00004 1.89600 A6 1.87452 0.00001 0.00004 0.00000 0.00004 1.87456 A7 2.01781 -0.00005 0.00002 -0.00014 -0.00011 2.01769 A8 1.92656 0.00003 -0.00003 0.00006 0.00003 1.92659 A9 1.92042 -0.00002 -0.00011 -0.00005 -0.00016 1.92027 A10 1.85994 -0.00001 -0.00014 0.00000 -0.00013 1.85981 A11 1.85862 0.00006 0.00009 0.00036 0.00045 1.85907 A12 1.87387 -0.00000 0.00019 -0.00025 -0.00006 1.87381 A13 1.93928 0.00000 -0.00000 0.00025 0.00025 1.93953 A14 1.90874 0.00006 0.00008 0.00017 0.00025 1.90899 A15 1.96157 -0.00003 -0.00001 -0.00030 -0.00031 1.96126 A16 1.87069 -0.00001 0.00008 -0.00013 -0.00005 1.87065 A17 1.84184 0.00004 -0.00002 0.00025 0.00023 1.84208 A18 1.93902 -0.00005 -0.00014 -0.00023 -0.00037 1.93865 A19 2.03869 -0.00009 -0.00007 -0.00023 -0.00031 2.03838 A20 1.85619 0.00002 -0.00006 0.00025 0.00018 1.85637 A21 1.84329 0.00000 -0.00013 -0.00001 -0.00013 1.84316 A22 1.91835 0.00005 0.00000 0.00029 0.00029 1.91865 A23 1.92307 0.00003 0.00012 -0.00019 -0.00007 1.92301 A24 1.87635 -0.00001 0.00015 -0.00011 0.00004 1.87639 A25 1.97262 0.00002 -0.00010 0.00023 0.00014 1.97276 A26 1.86570 -0.00005 -0.00012 -0.00010 -0.00022 1.86548 A27 1.97585 -0.00002 0.00013 -0.00026 -0.00014 1.97571 A28 1.87083 0.00001 0.00003 0.00005 0.00008 1.87091 A29 1.90275 -0.00000 0.00004 -0.00006 -0.00002 1.90274 A30 1.86996 0.00003 0.00001 0.00015 0.00016 1.87012 A31 2.05784 -0.00006 -0.00009 0.00008 -0.00001 2.05783 A32 1.84776 0.00003 0.00009 0.00025 0.00033 1.84810 A33 1.84703 -0.00002 -0.00018 -0.00021 -0.00039 1.84664 A34 1.90762 0.00004 0.00019 0.00014 0.00033 1.90795 A35 1.91194 0.00003 -0.00007 -0.00017 -0.00024 1.91170 A36 1.88405 -0.00001 0.00008 -0.00010 -0.00002 1.88402 A37 1.97876 -0.00002 0.00011 -0.00032 -0.00021 1.97855 A38 1.85980 -0.00003 -0.00007 -0.00012 -0.00019 1.85961 A39 1.96912 0.00003 -0.00006 0.00023 0.00017 1.96930 A40 1.87028 0.00002 -0.00000 0.00016 0.00016 1.87044 A41 1.90919 0.00000 -0.00008 0.00021 0.00013 1.90932 A42 1.87017 0.00000 0.00010 -0.00016 -0.00006 1.87010 A43 2.06291 -0.00024 -0.00019 -0.00057 -0.00076 2.06215 A44 1.84051 0.00004 0.00010 -0.00039 -0.00029 1.84022 A45 1.85403 0.00006 -0.00005 0.00029 0.00024 1.85427 A46 1.93068 0.00010 -0.00017 0.00064 0.00047 1.93115 A47 1.89382 0.00008 0.00018 -0.00002 0.00016 1.89398 A48 1.87239 -0.00003 0.00016 0.00009 0.00025 1.87264 A49 1.99208 0.00004 -0.00015 0.00055 0.00041 1.99249 A50 1.85835 -0.00004 -0.00014 -0.00001 -0.00014 1.85820 A51 1.96444 -0.00007 0.00016 -0.00068 -0.00051 1.96392 A52 1.87553 0.00002 0.00004 0.00014 0.00018 1.87571 A53 1.89786 0.00001 0.00004 -0.00018 -0.00014 1.89772 A54 1.86921 0.00005 0.00004 0.00020 0.00024 1.86944 D1 -1.22914 -0.00001 -0.00025 0.00240 0.00215 -1.22699 D2 2.94172 0.00002 -0.00006 0.00245 0.00239 2.94411 D3 0.87667 0.00002 -0.00020 0.00274 0.00254 0.87922 D4 2.99610 -0.00002 -0.00010 0.00205 0.00195 2.99805 D5 0.88377 0.00001 0.00009 0.00210 0.00218 0.88596 D6 -1.18128 0.00001 -0.00005 0.00239 0.00234 -1.17894 D7 0.92950 -0.00002 -0.00005 0.00203 0.00198 0.93148 D8 -1.18282 0.00002 0.00014 0.00207 0.00221 -1.18061 D9 3.03531 0.00001 -0.00000 0.00237 0.00237 3.03768 D10 0.91647 -0.00000 -0.00017 -0.00140 -0.00157 0.91490 D11 2.97810 0.00002 -0.00002 -0.00131 -0.00132 2.97678 D12 -1.14302 -0.00003 -0.00014 -0.00169 -0.00183 -1.14485 D13 3.06436 -0.00001 -0.00030 -0.00141 -0.00171 3.06265 D14 -1.15720 0.00001 -0.00015 -0.00131 -0.00146 -1.15866 D15 1.00487 -0.00004 -0.00027 -0.00170 -0.00197 1.00290 D16 -1.22249 0.00000 -0.00011 -0.00152 -0.00164 -1.22412 D17 0.83914 0.00003 0.00004 -0.00143 -0.00139 0.83775 D18 3.00121 -0.00002 -0.00008 -0.00181 -0.00189 2.99932 D19 1.06276 0.00003 -0.00027 0.00087 0.00061 1.06337 D20 -1.08558 0.00002 -0.00017 0.00045 0.00028 -1.08529 D21 -3.07609 0.00002 -0.00025 0.00047 0.00022 -3.07587 D22 -1.02173 -0.00003 -0.00042 0.00060 0.00019 -1.02155 D23 3.11311 -0.00004 -0.00032 0.00018 -0.00014 3.11298 D24 1.12260 -0.00004 -0.00040 0.00020 -0.00020 1.12240 D25 -3.08975 0.00002 -0.00029 0.00081 0.00052 -3.08923 D26 1.04510 0.00000 -0.00019 0.00039 0.00020 1.04529 D27 -0.94542 0.00000 -0.00028 0.00041 0.00013 -0.94529 D28 1.20252 0.00000 0.00043 0.00096 0.00139 1.20391 D29 -0.93793 -0.00003 0.00018 0.00051 0.00069 -0.93724 D30 -2.93510 -0.00002 0.00013 0.00061 0.00074 -2.93436 D31 -2.97665 0.00003 0.00052 0.00128 0.00180 -2.97485 D32 1.16608 -0.00000 0.00027 0.00083 0.00110 1.16718 D33 -0.83109 0.00000 0.00022 0.00093 0.00116 -0.82994 D34 -0.97275 0.00004 0.00048 0.00138 0.00186 -0.97090 D35 -3.11321 0.00001 0.00022 0.00094 0.00116 -3.11205 D36 1.17281 0.00001 0.00018 0.00104 0.00121 1.17402 D37 -0.63105 -0.00000 0.00078 0.00041 0.00120 -0.62986 D38 -2.79959 0.00000 0.00105 0.00029 0.00134 -2.79824 D39 1.49971 -0.00001 0.00085 0.00024 0.00109 1.50080 D40 -2.74731 -0.00001 0.00081 0.00011 0.00092 -2.74639 D41 1.36734 -0.00000 0.00108 -0.00001 0.00107 1.36841 D42 -0.61654 -0.00002 0.00088 -0.00006 0.00081 -0.61573 D43 1.51409 0.00001 0.00078 0.00024 0.00103 1.51511 D44 -0.65445 0.00001 0.00105 0.00012 0.00117 -0.65327 D45 -2.63833 -0.00000 0.00085 0.00007 0.00092 -2.63741 D46 -1.01178 -0.00002 -0.00017 -0.00314 -0.00331 -1.01509 D47 -3.06587 -0.00002 -0.00008 -0.00327 -0.00335 -3.06922 D48 1.16245 -0.00002 -0.00009 -0.00325 -0.00333 1.15912 D49 1.10418 -0.00002 -0.00031 -0.00275 -0.00305 1.10113 D50 -0.94991 -0.00002 -0.00022 -0.00288 -0.00309 -0.95301 D51 -3.00477 -0.00002 -0.00022 -0.00285 -0.00307 -3.00785 D52 -3.11432 0.00002 -0.00005 -0.00282 -0.00286 -3.11718 D53 1.11478 0.00002 0.00004 -0.00295 -0.00290 1.11187 D54 -0.94008 0.00002 0.00003 -0.00292 -0.00288 -0.94297 D55 -0.97954 -0.00003 0.00035 -0.00157 -0.00123 -0.98077 D56 -3.03265 -0.00003 0.00033 -0.00151 -0.00118 -3.03383 D57 1.20294 -0.00003 0.00029 -0.00136 -0.00108 1.20186 D58 1.13026 -0.00001 0.00055 -0.00106 -0.00051 1.12975 D59 -0.92284 -0.00000 0.00054 -0.00100 -0.00046 -0.92330 D60 -2.97043 -0.00000 0.00049 -0.00085 -0.00036 -2.97080 D61 -3.09194 0.00002 0.00072 -0.00120 -0.00049 -3.09243 D62 1.13814 0.00002 0.00070 -0.00114 -0.00044 1.13770 D63 -0.90946 0.00002 0.00065 -0.00099 -0.00034 -0.90980 D64 -0.99955 0.00002 -0.00048 0.00073 0.00026 -0.99929 D65 -3.06575 0.00000 -0.00035 0.00024 -0.00011 -3.06586 D66 1.17448 0.00000 -0.00040 0.00037 -0.00002 1.17446 D67 1.12366 -0.00003 -0.00063 0.00030 -0.00032 1.12334 D68 -0.94254 -0.00005 -0.00050 -0.00019 -0.00069 -0.94323 D69 -2.98549 -0.00005 -0.00055 -0.00006 -0.00060 -2.98610 D70 -3.11001 0.00004 -0.00043 0.00077 0.00034 -3.10966 D71 1.10698 0.00003 -0.00030 0.00028 -0.00002 1.10696 D72 -0.93598 0.00003 -0.00035 0.00041 0.00006 -0.93591 Item Value Threshold Converged? Maximum Force 0.000244 0.000450 YES RMS Force 0.000042 0.000300 YES Maximum Displacement 0.006375 0.001800 NO RMS Displacement 0.001670 0.001200 NO Predicted change in Energy=-8.237071D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.121805 3.345290 1.022210 2 6 0 -3.998497 2.321173 1.135833 3 1 0 -4.760866 4.331746 0.763895 4 1 0 -5.593862 3.420152 1.994593 5 1 0 -5.887066 3.060100 0.311926 6 7 0 -3.338094 1.928123 -0.166821 7 1 0 -4.363853 1.411655 1.581308 8 1 0 -3.215716 2.700659 1.774381 9 6 0 -2.878893 3.155008 -0.941009 10 6 0 -1.850740 4.050428 -0.261671 11 1 0 -3.767262 3.721511 -1.166817 12 1 0 -2.486550 2.779114 -1.875563 13 1 0 -2.187871 4.433806 0.692763 14 1 0 -1.696454 4.902839 -0.912920 15 1 0 -0.890188 3.571998 -0.129774 16 6 0 -2.102636 1.093931 0.125993 17 6 0 -2.304864 -0.302256 0.698913 18 1 0 -1.508125 1.677190 0.809820 19 1 0 -1.564524 1.026422 -0.809183 20 1 0 -2.881388 -0.310976 1.614483 21 1 0 -1.318941 -0.683588 0.938030 22 1 0 -2.747698 -0.986503 -0.010526 23 6 0 -4.290736 1.188439 -1.100684 24 6 0 -5.311501 0.237937 -0.482335 25 1 0 -3.656961 0.663659 -1.801441 26 1 0 -4.820868 1.947675 -1.654097 27 1 0 -4.877862 -0.543909 0.120931 28 1 0 -5.828685 -0.237182 -1.308197 29 1 0 -6.057391 0.755859 0.104361 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524318 0.000000 3 H 1.081711 2.182189 0.000000 4 H 1.083500 2.119060 1.743417 0.000000 5 H 1.082341 2.188956 1.757750 1.745558 0.000000 6 N 2.569782 1.512457 2.944132 3.462130 2.829810 7 H 2.150820 1.076641 3.058221 2.391189 2.578543 8 H 2.148135 1.079120 2.463537 2.494342 3.066608 9 C 2.986819 2.502412 2.798791 4.007383 3.260055 10 C 3.584053 3.091311 3.098348 4.415761 4.195437 11 H 2.601570 2.704924 2.255500 3.663577 2.667905 12 H 3.957550 3.400617 3.814435 5.004440 4.053093 13 H 3.146645 2.817427 2.576001 3.784578 3.964360 14 H 4.231278 4.020173 3.539559 5.083481 4.738899 15 H 4.391474 3.581607 4.044503 5.163384 5.042413 16 C 3.871330 2.473901 4.237517 4.592562 4.268758 17 C 4.619985 3.153041 5.245011 5.133479 4.928221 18 H 3.985768 2.592865 4.198702 4.597265 4.619032 19 H 4.624434 3.373972 4.859665 5.461379 4.906842 20 H 4.328803 2.899180 5.080433 4.628532 4.700522 21 H 5.540822 4.030847 6.085289 6.019298 5.939273 22 H 5.046519 3.717440 5.739020 5.616027 5.131725 23 C 3.138368 2.523985 3.684841 4.032297 2.836697 24 C 3.457641 2.946578 4.314575 4.042448 2.987763 25 H 4.160518 3.389923 4.610251 5.075402 3.896487 26 H 3.034223 2.932491 3.396186 4.009819 2.497902 27 H 3.999710 3.164175 4.919258 4.442639 3.747513 28 H 4.331810 3.983472 5.129220 4.933523 3.674271 29 H 2.902226 2.784455 3.860431 3.299438 2.319831 6 7 8 9 10 6 N 0.000000 7 H 2.091620 0.000000 8 H 2.092857 1.736960 0.000000 9 C 1.521671 3.406827 2.773666 0.000000 10 C 2.593337 4.083557 2.798311 1.523278 0.000000 11 H 2.097718 3.639169 3.161801 1.077550 2.144885 12 H 2.090242 4.164633 3.722892 1.081027 2.150614 13 H 2.887966 3.828552 2.286954 2.186789 1.082396 14 H 3.478589 5.052184 3.792010 2.110418 1.083759 15 H 2.948888 4.434099 3.129395 2.187905 1.081180 16 C 1.519201 2.707765 2.556893 2.447266 2.992425 17 C 2.606079 2.820558 3.317195 3.869306 4.480492 18 H 2.089397 2.969997 2.212178 2.669898 2.626354 19 H 2.090752 3.701229 3.493466 2.505160 3.086471 20 H 2.897445 2.272940 3.034351 4.306227 4.858398 21 H 3.481193 3.751711 3.968673 4.549622 4.912534 22 H 2.977926 3.301069 4.123118 4.246779 5.122332 23 C 1.525372 2.692258 3.421765 2.426147 3.853376 24 C 2.617368 2.556223 3.943359 3.825869 5.153703 25 H 2.091059 3.535843 4.138909 2.748191 4.135642 26 H 2.100236 3.311197 3.859787 2.395290 3.896419 27 H 2.926539 2.494221 4.002980 4.336541 5.515232 28 H 3.492038 3.635056 4.996079 4.510328 5.941621 29 H 2.973603 2.340836 3.827053 4.117228 5.355752 11 12 13 14 15 11 H 0.000000 12 H 1.740878 0.000000 13 H 2.541629 3.069774 0.000000 14 H 2.397549 2.461938 1.743474 0.000000 15 H 3.061921 2.494958 1.761607 1.741988 0.000000 16 C 3.368459 2.644515 3.388696 3.968893 2.770607 17 C 4.670145 4.019425 4.737511 5.482808 4.206884 18 H 3.631810 3.063141 2.841599 3.661709 2.203402 19 H 3.499066 2.249273 3.775536 3.880049 2.719611 20 H 4.978087 4.678137 4.882979 5.914026 4.699446 21 H 5.461644 4.611932 5.196433 5.897177 4.408406 22 H 4.953980 4.210277 5.494340 6.050106 4.923870 23 C 2.587441 2.527008 4.262734 4.534570 4.264709 24 C 3.871496 4.047099 5.361272 5.917371 5.548718 25 H 3.124961 2.418782 4.753240 4.754336 4.348326 26 H 2.119912 2.487846 4.315238 4.363978 4.517989 27 H 4.591899 4.554870 5.686888 6.391969 5.736295 28 H 4.465502 4.537600 6.251200 6.606920 6.347226 29 H 3.956725 4.556815 5.370912 6.103284 5.889434 16 17 18 19 20 16 C 0.000000 17 C 1.522652 0.000000 18 H 1.077615 2.136656 0.000000 19 H 1.081054 2.141925 1.745810 0.000000 20 H 2.189936 1.082000 2.546789 3.065440 0.000000 21 H 2.105506 1.083806 2.371814 2.457071 1.742891 22 H 2.182418 1.080555 3.050372 2.467716 1.764898 23 C 2.510269 3.066661 3.410547 2.746535 3.406852 24 C 3.376330 3.275213 4.266941 3.842964 3.256287 25 H 2.513178 3.002153 3.530358 2.344027 3.635926 26 H 3.359521 4.114501 4.137428 3.488031 4.421165 27 H 3.222487 2.648165 4.094261 3.782758 2.504170 28 H 4.208587 4.055865 5.178615 4.475352 4.151393 29 H 3.969237 3.943927 4.694927 4.592779 3.674997 21 22 23 24 25 21 H 0.000000 22 H 1.741511 0.000000 23 C 4.061085 2.880935 0.000000 24 C 4.336725 2.880095 1.525704 0.000000 25 H 3.845271 2.599455 1.080798 2.158421 0.000000 26 H 5.089809 3.950792 1.078769 2.130012 1.739277 27 H 3.654186 2.179626 2.199566 1.078544 2.577660 28 H 5.057925 3.426064 2.107307 1.084096 2.402330 29 H 5.021944 3.742071 2.181818 1.081114 3.066373 26 27 28 29 26 H 0.000000 27 H 3.059733 0.000000 28 H 2.430831 1.743718 0.000000 29 H 2.457964 1.755267 1.741768 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.809706 2.102555 -0.878694 2 6 0 -0.224274 0.709536 -1.079477 3 1 0 -1.861429 2.079487 -0.626809 4 1 0 -0.715779 2.633844 -1.818312 5 1 0 -0.286648 2.679386 -0.126938 6 7 0 -0.083984 -0.127220 0.172595 7 1 0 0.757492 0.774756 -1.516557 8 1 0 -0.842380 0.143420 -1.759150 9 6 0 -1.397873 -0.194768 0.937196 10 6 0 -2.584236 -0.814769 0.210204 11 1 0 -1.632438 0.816070 1.227543 12 1 0 -1.181336 -0.750241 1.838960 13 1 0 -2.826350 -0.307348 -0.714720 14 1 0 -3.442073 -0.714260 0.864839 15 1 0 -2.457426 -1.869762 0.010551 16 6 0 0.285749 -1.549991 -0.210801 17 6 0 1.671217 -1.793856 -0.793451 18 1 0 -0.460384 -1.867655 -0.920468 19 1 0 0.162798 -2.138444 0.687689 20 1 0 1.878785 -1.196290 -1.671264 21 1 0 1.698621 -2.833031 -1.100045 22 1 0 2.461080 -1.654352 -0.069397 23 6 0 0.928974 0.457961 1.151493 24 6 0 2.171442 1.136092 0.582123 25 1 0 1.205381 -0.359405 1.802367 26 1 0 0.390368 1.176193 1.749648 27 1 0 2.764161 0.504079 -0.060140 28 1 0 2.788943 1.408433 1.430525 29 1 0 1.938740 2.049096 0.051953 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6949694 1.3481399 1.0332980 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 540.0275426573 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -368.818909790 A.U. after 7 cycles Convg = 0.9237D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000018592 -0.000005046 -0.000013791 2 6 -0.000008489 0.000023887 0.000041298 3 1 -0.000010775 -0.000005192 0.000020283 4 1 0.000003007 -0.000006894 0.000009527 5 1 -0.000012889 -0.000006817 -0.000015943 6 7 0.000008781 0.000073038 0.000049760 7 1 0.000019377 0.000022794 0.000001731 8 1 0.000019298 0.000025440 0.000005033 9 6 0.000006733 -0.000001174 -0.000001656 10 6 0.000003536 -0.000017319 -0.000005023 11 1 -0.000003897 -0.000008533 -0.000007032 12 1 0.000001830 -0.000008837 0.000000131 13 1 -0.000015438 -0.000014255 0.000015285 14 1 0.000001399 0.000006461 -0.000004985 15 1 -0.000002403 0.000023998 -0.000007733 16 6 0.000022641 -0.000035899 -0.000004540 17 6 -0.000009373 0.000013011 0.000014266 18 1 -0.000015506 -0.000016218 -0.000001135 19 1 0.000013456 0.000004187 -0.000011210 20 1 0.000003891 -0.000007009 0.000007254 21 1 0.000001907 -0.000000636 0.000002734 22 1 -0.000022198 -0.000005305 -0.000004496 23 6 0.000011947 -0.000070710 -0.000040889 24 6 -0.000010415 0.000016039 -0.000023510 25 1 -0.000023301 0.000004069 -0.000022868 26 1 -0.000001921 0.000013079 0.000010412 27 1 0.000020021 -0.000002595 0.000001450 28 1 -0.000008476 -0.000010217 0.000000141 29 1 -0.000011337 -0.000003343 -0.000014493 ------------------------------------------------------------------- Cartesian Forces: Max 0.000073038 RMS 0.000018481 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000095646 RMS 0.000018302 Search for a local minimum. Step number 10 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 DE= -3.85D-07 DEPred=-8.24D-07 R= 4.67D-01 Trust test= 4.67D-01 RLast= 1.39D-02 DXMaxT set to 4.68D-01 Eigenvalues --- 0.00215 0.00224 0.00237 0.00266 0.00322 Eigenvalues --- 0.00461 0.00811 0.01128 0.03185 0.03196 Eigenvalues --- 0.03496 0.03907 0.04626 0.04669 0.04691 Eigenvalues --- 0.04838 0.04946 0.04979 0.05008 0.05050 Eigenvalues --- 0.05117 0.05760 0.05807 0.05826 0.05923 Eigenvalues --- 0.06661 0.06767 0.08893 0.08939 0.09102 Eigenvalues --- 0.09326 0.12507 0.12631 0.12728 0.12867 Eigenvalues --- 0.15121 0.15314 0.15684 0.15971 0.15984 Eigenvalues --- 0.16000 0.16000 0.16000 0.16030 0.16056 Eigenvalues --- 0.16141 0.16241 0.16500 0.18355 0.21972 Eigenvalues --- 0.23300 0.25340 0.27625 0.28146 0.28398 Eigenvalues --- 0.29273 0.30015 0.31119 0.32059 0.32096 Eigenvalues --- 0.32153 0.32203 0.32297 0.32393 0.32451 Eigenvalues --- 0.32467 0.32524 0.32541 0.32550 0.32663 Eigenvalues --- 0.32700 0.32756 0.32829 0.32905 0.32939 Eigenvalues --- 0.33222 0.33384 0.34113 0.36344 0.38868 Eigenvalues --- 0.499211000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 10 9 8 7 6 RFO step: Lambda=-1.33668761D-07. DIIS coeffs: 0.63375 0.34547 0.00983 0.01252 -0.00157 Iteration 1 RMS(Cart)= 0.00113061 RMS(Int)= 0.00000058 Iteration 2 RMS(Cart)= 0.00000102 RMS(Int)= 0.00000003 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000003 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.88054 -0.00001 0.00000 -0.00002 -0.00002 2.88052 R2 2.04414 -0.00001 0.00001 -0.00003 -0.00002 2.04411 R3 2.04752 0.00001 0.00005 -0.00006 -0.00001 2.04751 R4 2.04533 0.00002 0.00002 0.00000 0.00003 2.04535 R5 2.85813 0.00004 0.00013 -0.00001 0.00012 2.85825 R6 2.03456 -0.00003 -0.00005 0.00002 -0.00002 2.03454 R7 2.03924 0.00003 0.00002 0.00004 0.00005 2.03929 R8 2.87554 -0.00001 0.00018 -0.00028 -0.00010 2.87544 R9 2.87087 0.00002 0.00014 -0.00012 0.00002 2.87089 R10 2.88254 0.00010 0.00016 0.00004 0.00020 2.88274 R11 2.87858 -0.00001 -0.00003 0.00003 0.00000 2.87858 R12 2.03627 0.00000 0.00000 0.00001 0.00001 2.03629 R13 2.04284 0.00000 -0.00000 0.00003 0.00003 2.04288 R14 2.04543 0.00001 0.00001 0.00001 0.00003 2.04546 R15 2.04801 0.00001 0.00004 -0.00003 0.00000 2.04801 R16 2.04313 -0.00001 -0.00001 -0.00000 -0.00001 2.04312 R17 2.87740 0.00001 0.00002 0.00000 0.00002 2.87741 R18 2.03640 -0.00002 -0.00002 0.00001 -0.00001 2.03639 R19 2.04290 0.00002 0.00003 0.00002 0.00005 2.04294 R20 2.04468 0.00000 0.00001 0.00000 0.00001 2.04470 R21 2.04810 0.00000 0.00001 -0.00001 0.00000 2.04810 R22 2.04195 0.00002 0.00003 -0.00001 0.00001 2.04197 R23 2.88316 -0.00001 0.00002 -0.00002 -0.00000 2.88316 R24 2.04241 -0.00000 -0.00001 0.00003 0.00002 2.04244 R25 2.03858 0.00000 -0.00000 0.00004 0.00004 2.03862 R26 2.03815 0.00001 0.00001 -0.00002 -0.00001 2.03815 R27 2.04864 0.00001 0.00004 -0.00004 0.00000 2.04865 R28 2.04301 -0.00000 -0.00000 -0.00000 -0.00001 2.04300 A1 1.96557 0.00002 0.00004 0.00001 0.00005 1.96562 A2 1.87610 -0.00002 -0.00005 -0.00000 -0.00005 1.87605 A3 1.97461 -0.00000 0.00007 -0.00007 0.00000 1.97461 A4 1.87201 -0.00000 -0.00007 0.00004 -0.00003 1.87198 A5 1.89600 -0.00000 -0.00000 0.00006 0.00005 1.89605 A6 1.87456 0.00001 -0.00000 -0.00002 -0.00003 1.87453 A7 2.01769 0.00003 0.00001 0.00009 0.00010 2.01780 A8 1.92659 -0.00001 -0.00002 0.00000 -0.00002 1.92657 A9 1.92027 -0.00000 0.00006 -0.00008 -0.00002 1.92024 A10 1.85981 -0.00001 0.00003 -0.00014 -0.00011 1.85970 A11 1.85907 -0.00001 -0.00014 0.00023 0.00008 1.85915 A12 1.87381 0.00000 0.00007 -0.00011 -0.00004 1.87377 A13 1.93953 -0.00002 -0.00012 0.00021 0.00009 1.93962 A14 1.90899 -0.00003 -0.00005 0.00008 0.00003 1.90902 A15 1.96126 0.00006 0.00011 0.00023 0.00033 1.96159 A16 1.87065 0.00005 0.00005 0.00002 0.00006 1.87071 A17 1.84208 -0.00004 -0.00010 -0.00022 -0.00032 1.84175 A18 1.93865 -0.00003 0.00011 -0.00032 -0.00021 1.93844 A19 2.03838 0.00001 0.00008 -0.00009 -0.00001 2.03837 A20 1.85637 -0.00001 -0.00009 -0.00006 -0.00015 1.85622 A21 1.84316 -0.00000 0.00003 -0.00011 -0.00008 1.84308 A22 1.91865 -0.00000 -0.00010 0.00018 0.00009 1.91874 A23 1.92301 0.00001 0.00006 0.00008 0.00014 1.92315 A24 1.87639 -0.00000 0.00002 -0.00001 0.00001 1.87640 A25 1.97276 -0.00003 -0.00007 0.00002 -0.00005 1.97271 A26 1.86548 0.00000 0.00006 -0.00009 -0.00003 1.86545 A27 1.97571 0.00003 0.00006 0.00001 0.00008 1.97579 A28 1.87091 0.00001 -0.00002 0.00004 0.00002 1.87093 A29 1.90274 0.00000 0.00001 -0.00001 0.00001 1.90274 A30 1.87012 -0.00001 -0.00005 0.00002 -0.00003 1.87009 A31 2.05783 -0.00005 -0.00003 -0.00001 -0.00004 2.05779 A32 1.84810 0.00002 -0.00009 0.00010 0.00001 1.84810 A33 1.84664 0.00001 0.00010 -0.00025 -0.00014 1.84649 A34 1.90795 0.00000 -0.00007 0.00012 0.00004 1.90799 A35 1.91170 0.00002 0.00008 0.00002 0.00010 1.91180 A36 1.88402 -0.00001 0.00002 0.00002 0.00004 1.88406 A37 1.97855 0.00001 0.00010 -0.00011 -0.00002 1.97853 A38 1.85961 0.00000 0.00007 -0.00012 -0.00005 1.85957 A39 1.96930 -0.00000 -0.00008 0.00018 0.00010 1.96940 A40 1.87044 -0.00001 -0.00007 0.00003 -0.00004 1.87041 A41 1.90932 -0.00001 -0.00007 0.00006 -0.00001 1.90931 A42 1.87010 0.00001 0.00004 -0.00005 -0.00001 1.87010 A43 2.06215 0.00005 0.00020 -0.00007 0.00013 2.06228 A44 1.84022 0.00000 0.00016 -0.00023 -0.00007 1.84015 A45 1.85427 -0.00003 -0.00012 -0.00008 -0.00019 1.85408 A46 1.93115 -0.00003 -0.00017 0.00030 0.00012 1.93127 A47 1.89398 -0.00001 -0.00003 0.00005 0.00002 1.89401 A48 1.87264 0.00000 -0.00006 0.00002 -0.00004 1.87260 A49 1.99249 -0.00003 -0.00020 0.00026 0.00006 1.99256 A50 1.85820 0.00002 0.00004 -0.00002 0.00003 1.85823 A51 1.96392 0.00001 0.00021 -0.00028 -0.00007 1.96385 A52 1.87571 0.00000 -0.00006 0.00004 -0.00001 1.87569 A53 1.89772 0.00001 0.00006 -0.00004 0.00003 1.89775 A54 1.86944 -0.00001 -0.00007 0.00004 -0.00003 1.86941 D1 -1.22699 -0.00001 -0.00105 0.00001 -0.00104 -1.22803 D2 2.94411 -0.00001 -0.00108 0.00012 -0.00096 2.94315 D3 0.87922 -0.00001 -0.00119 0.00031 -0.00088 0.87834 D4 2.99805 -0.00001 -0.00096 -0.00004 -0.00099 2.99705 D5 0.88596 -0.00000 -0.00099 0.00008 -0.00091 0.88504 D6 -1.17894 0.00000 -0.00109 0.00026 -0.00083 -1.17977 D7 0.93148 -0.00000 -0.00096 0.00003 -0.00093 0.93055 D8 -1.18061 -0.00000 -0.00099 0.00015 -0.00084 -1.18145 D9 3.03768 0.00000 -0.00110 0.00033 -0.00077 3.03691 D10 0.91490 -0.00000 0.00034 0.00140 0.00174 0.91664 D11 2.97678 0.00004 0.00029 0.00160 0.00189 2.97867 D12 -1.14485 0.00002 0.00048 0.00140 0.00187 -1.14297 D13 3.06265 -0.00001 0.00034 0.00136 0.00170 3.06436 D14 -1.15866 0.00003 0.00030 0.00156 0.00186 -1.15680 D15 1.00290 0.00001 0.00048 0.00136 0.00184 1.00474 D16 -1.22412 -0.00001 0.00037 0.00128 0.00164 -1.22248 D17 0.83775 0.00003 0.00032 0.00147 0.00179 0.83954 D18 2.99932 0.00001 0.00050 0.00127 0.00177 3.00109 D19 1.06337 -0.00003 -0.00050 -0.00124 -0.00174 1.06163 D20 -1.08529 -0.00002 -0.00036 -0.00136 -0.00173 -1.08702 D21 -3.07587 -0.00002 -0.00036 -0.00127 -0.00163 -3.07750 D22 -1.02155 -0.00002 -0.00041 -0.00146 -0.00187 -1.02341 D23 3.11298 -0.00001 -0.00027 -0.00159 -0.00185 3.11113 D24 1.12240 -0.00001 -0.00026 -0.00149 -0.00176 1.12064 D25 -3.08923 0.00001 -0.00051 -0.00098 -0.00149 -3.09072 D26 1.04529 0.00002 -0.00036 -0.00111 -0.00147 1.04382 D27 -0.94529 0.00002 -0.00036 -0.00102 -0.00138 -0.94667 D28 1.20391 0.00001 -0.00026 0.00006 -0.00020 1.20371 D29 -0.93724 0.00002 -0.00006 -0.00017 -0.00024 -0.93748 D30 -2.93436 0.00001 -0.00009 -0.00013 -0.00022 -2.93458 D31 -2.97485 -0.00000 -0.00040 0.00036 -0.00004 -2.97489 D32 1.16718 0.00001 -0.00020 0.00013 -0.00007 1.16710 D33 -0.82994 0.00000 -0.00023 0.00017 -0.00005 -0.82999 D34 -0.97090 -0.00003 -0.00044 -0.00006 -0.00050 -0.97140 D35 -3.11205 -0.00002 -0.00024 -0.00029 -0.00053 -3.11258 D36 1.17402 -0.00002 -0.00027 -0.00025 -0.00051 1.17351 D37 -0.62986 -0.00001 -0.00025 -0.00046 -0.00071 -0.63057 D38 -2.79824 -0.00001 -0.00030 -0.00061 -0.00091 -2.79915 D39 1.50080 -0.00000 -0.00025 -0.00050 -0.00075 1.50005 D40 -2.74639 0.00001 -0.00011 -0.00070 -0.00080 -2.74719 D41 1.36841 0.00000 -0.00015 -0.00085 -0.00100 1.36741 D42 -0.61573 0.00001 -0.00010 -0.00074 -0.00084 -0.61657 D43 1.51511 -0.00002 -0.00016 -0.00043 -0.00059 1.51452 D44 -0.65327 -0.00002 -0.00020 -0.00058 -0.00078 -0.65406 D45 -2.63741 -0.00002 -0.00015 -0.00048 -0.00063 -2.63804 D46 -1.01509 0.00001 0.00134 -0.00042 0.00092 -1.01418 D47 -3.06922 0.00001 0.00137 -0.00043 0.00094 -3.06828 D48 1.15912 0.00001 0.00135 -0.00040 0.00095 1.16007 D49 1.10113 -0.00000 0.00120 -0.00043 0.00077 1.10190 D50 -0.95301 0.00000 0.00123 -0.00043 0.00080 -0.95221 D51 -3.00785 -0.00000 0.00121 -0.00041 0.00081 -3.00704 D52 -3.11718 0.00000 0.00120 -0.00028 0.00092 -3.11626 D53 1.11187 0.00000 0.00123 -0.00028 0.00094 1.11282 D54 -0.94297 0.00000 0.00122 -0.00026 0.00095 -0.94201 D55 -0.98077 -0.00000 0.00045 -0.00148 -0.00103 -0.98180 D56 -3.03383 -0.00000 0.00043 -0.00137 -0.00095 -3.03477 D57 1.20186 -0.00001 0.00037 -0.00134 -0.00097 1.20090 D58 1.12975 -0.00001 0.00024 -0.00125 -0.00102 1.12873 D59 -0.92330 -0.00001 0.00022 -0.00115 -0.00093 -0.92424 D60 -2.97080 -0.00001 0.00016 -0.00111 -0.00095 -2.97175 D61 -3.09243 -0.00000 0.00026 -0.00116 -0.00089 -3.09333 D62 1.13770 0.00000 0.00024 -0.00105 -0.00081 1.13689 D63 -0.90980 -0.00000 0.00019 -0.00102 -0.00083 -0.91063 D64 -0.99929 -0.00001 -0.00014 0.00132 0.00118 -0.99811 D65 -3.06586 -0.00000 0.00001 0.00113 0.00114 -3.06471 D66 1.17446 -0.00000 -0.00004 0.00125 0.00121 1.17567 D67 1.12334 0.00001 0.00008 0.00120 0.00129 1.12462 D68 -0.94323 0.00002 0.00024 0.00102 0.00125 -0.94198 D69 -2.98610 0.00002 0.00018 0.00113 0.00131 -2.98478 D70 -3.10966 -0.00000 -0.00011 0.00143 0.00133 -3.10834 D71 1.10696 0.00000 0.00005 0.00124 0.00129 1.10825 D72 -0.93591 0.00000 -0.00001 0.00136 0.00135 -0.93456 Item Value Threshold Converged? Maximum Force 0.000096 0.000450 YES RMS Force 0.000018 0.000300 YES Maximum Displacement 0.004489 0.001800 NO RMS Displacement 0.001131 0.001200 YES Predicted change in Energy=-3.438823D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.122068 3.344676 1.022504 2 6 0 -3.997605 2.321838 1.136082 3 1 0 -4.762321 4.331521 0.764068 4 1 0 -5.594028 3.419087 1.994962 5 1 0 -5.887158 3.058512 0.312406 6 7 0 -3.337733 1.928257 -0.166753 7 1 0 -4.361678 1.412305 1.582548 8 1 0 -3.214768 2.702649 1.773816 9 6 0 -2.878152 3.154681 -0.941339 10 6 0 -1.851092 4.050996 -0.261524 11 1 0 -3.766578 3.720573 -1.168477 12 1 0 -2.484744 2.778146 -1.875206 13 1 0 -2.189125 4.434220 0.692671 14 1 0 -1.697133 4.903442 -0.912807 15 1 0 -0.890211 3.573419 -0.128999 16 6 0 -2.102684 1.093346 0.125792 17 6 0 -2.305641 -0.302575 0.699128 18 1 0 -1.507521 1.676400 0.809222 19 1 0 -1.565076 1.025340 -0.809667 20 1 0 -2.880972 -0.310570 1.615462 21 1 0 -1.319793 -0.684851 0.937053 22 1 0 -2.750074 -0.986529 -0.009603 23 6 0 -4.290737 1.188937 -1.100711 24 6 0 -5.311389 0.238131 -0.482645 25 1 0 -3.657115 0.664639 -1.801987 26 1 0 -4.820965 1.948580 -1.653509 27 1 0 -4.877771 -0.543377 0.121068 28 1 0 -5.827962 -0.237433 -1.308635 29 1 0 -6.057804 0.755937 0.103479 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524308 0.000000 3 H 1.081698 2.182203 0.000000 4 H 1.083494 2.119009 1.743380 0.000000 5 H 1.082355 2.188959 1.757786 1.745547 0.000000 6 N 2.569908 1.512519 2.944750 3.462146 2.829600 7 H 2.150791 1.076630 3.058144 2.390804 2.578826 8 H 2.148130 1.079146 2.463278 2.494608 3.066599 9 C 2.987966 2.502495 2.800617 4.008461 3.261173 10 C 3.584258 3.090438 3.099321 4.415950 4.195743 11 H 2.603661 2.705702 2.258205 3.665763 2.669869 12 H 3.958934 3.400709 3.816556 5.005662 4.054710 13 H 3.146117 2.815914 2.576234 3.784154 3.963915 14 H 4.231472 4.019303 3.540392 5.083721 4.739328 15 H 4.391685 3.580892 4.045433 5.163422 5.042763 16 C 3.871597 2.473985 4.238731 4.592641 4.268366 17 C 4.619445 3.152969 5.245411 5.132587 4.926837 18 H 3.986675 2.593057 4.200646 4.598095 4.619337 19 H 4.624755 3.374025 4.861054 5.461541 4.906448 20 H 4.328387 2.899353 5.080685 4.627638 4.699555 21 H 5.540910 4.031187 6.086453 6.019183 5.938331 22 H 5.044893 3.716749 5.738411 5.613895 5.129069 23 C 3.137892 2.524407 3.684512 4.031790 2.835625 24 C 3.457158 2.947564 4.314117 4.041894 2.986329 25 H 4.160100 3.390352 4.610004 5.074981 3.895430 26 H 3.033281 2.932415 3.395073 4.008910 2.496705 27 H 3.998653 3.164554 4.918476 4.441354 3.745540 28 H 4.331744 3.984559 5.129038 4.933419 3.673490 29 H 2.902031 2.786169 3.859982 3.299268 2.318323 6 7 8 9 10 6 N 0.000000 7 H 2.091584 0.000000 8 H 2.092991 1.736944 0.000000 9 C 1.521616 3.406865 2.773033 0.000000 10 C 2.593281 4.082443 2.796473 1.523280 0.000000 11 H 2.097559 3.640108 3.161922 1.077556 2.144955 12 H 2.090147 4.164669 3.722096 1.081044 2.150729 13 H 2.887518 3.826727 2.284547 2.186770 1.082411 14 H 3.478489 5.051201 3.790073 2.110398 1.083761 15 H 2.949296 4.432933 3.127701 2.187955 1.081173 16 C 1.519212 2.706830 2.557845 2.447289 2.993494 17 C 2.606065 2.819315 3.318560 3.869305 4.481411 18 H 2.089409 2.968837 2.213215 2.669907 2.627402 19 H 2.090672 3.700462 3.494172 2.505114 3.088181 20 H 2.897804 2.271976 3.035784 4.306414 4.858702 21 H 3.481207 3.750706 3.970675 4.549598 4.913971 22 H 2.977586 3.299488 4.123901 4.246664 5.123309 23 C 1.525480 2.693475 3.422271 2.425891 3.853244 24 C 2.617562 2.558449 3.944779 3.825873 5.153687 25 H 2.091106 3.537017 4.139507 2.747327 4.135476 26 H 2.100199 3.312190 3.859410 2.395076 3.895885 27 H 2.926351 2.495389 4.004227 4.336222 5.515018 28 H 3.492184 3.637384 4.997436 4.510291 5.941596 29 H 2.974247 2.344208 3.829174 4.117743 5.356032 11 12 13 14 15 11 H 0.000000 12 H 1.740900 0.000000 13 H 2.541952 3.069848 0.000000 14 H 2.397321 2.462402 1.743498 0.000000 15 H 3.061970 2.494842 1.761618 1.741965 0.000000 16 C 3.368382 2.643580 3.389729 3.969886 2.772323 17 C 4.669904 4.018721 4.738232 5.483724 4.208630 18 H 3.632254 3.061856 2.843191 3.662667 2.204543 19 H 3.498519 2.247997 3.777157 3.881720 2.722399 20 H 4.978426 4.677812 4.882953 5.914350 4.700175 21 H 5.461481 4.610668 5.198110 5.898591 4.410654 22 H 4.953088 4.209947 5.494759 6.051133 4.926101 23 C 2.586217 2.527259 4.262025 4.534273 4.265391 24 C 3.870943 4.047322 5.360696 5.917178 5.549416 25 H 3.122827 2.418000 4.752689 4.753905 4.349212 26 H 2.118241 2.489027 4.313878 4.363275 4.518303 27 H 4.591181 4.554580 5.686125 6.391650 5.736826 28 H 4.464836 4.537822 6.250656 6.606740 6.347875 29 H 3.956849 4.557552 5.370623 6.103285 5.890355 16 17 18 19 20 16 C 0.000000 17 C 1.522662 0.000000 18 H 1.077612 2.136693 0.000000 19 H 1.081079 2.142022 1.745850 0.000000 20 H 2.189938 1.082006 2.546457 3.065533 0.000000 21 H 2.105480 1.083808 2.372149 2.456817 1.742873 22 H 2.182504 1.080562 3.050509 2.468185 1.764905 23 C 2.510184 3.066698 3.410535 2.746033 3.407866 24 C 3.375999 3.274671 4.266959 3.842069 3.257307 25 H 2.513240 3.002925 3.530272 2.343380 3.637634 26 H 3.359522 4.114542 4.137394 3.487872 4.421934 27 H 3.221799 2.647261 4.093843 3.781678 2.504918 28 H 4.207879 4.054886 5.178251 4.473898 4.152161 29 H 3.969549 3.943853 4.695785 4.592496 3.676383 21 22 23 24 25 21 H 0.000000 22 H 1.741514 0.000000 23 C 4.060797 2.880419 0.000000 24 C 4.335929 2.878176 1.525702 0.000000 25 H 3.845327 2.600330 1.080811 2.158516 0.000000 26 H 5.089615 3.950428 1.078789 2.130040 1.739281 27 H 3.653088 2.177282 2.199605 1.078540 2.578264 28 H 5.056371 3.423744 2.107326 1.084098 2.402021 29 H 5.021899 3.740328 2.181763 1.081111 3.066340 26 27 28 29 26 H 0.000000 27 H 3.059771 0.000000 28 H 2.431385 1.743708 0.000000 29 H 2.457473 1.755279 1.741745 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.809116 2.102709 -0.878740 2 6 0 -0.225198 0.709089 -1.079680 3 1 0 -1.860805 2.080796 -0.626666 4 1 0 -0.714817 2.633872 -1.818385 5 1 0 -0.285237 2.679007 -0.127126 6 7 0 -0.084194 -0.127493 0.172502 7 1 0 0.756155 0.773269 -1.517813 8 1 0 -0.844535 0.143356 -1.758594 9 6 0 -1.397783 -0.195741 0.937447 10 6 0 -2.584575 -0.814367 0.209981 11 1 0 -1.631820 0.814812 1.229228 12 1 0 -1.180976 -0.752476 1.838389 13 1 0 -2.826260 -0.306074 -0.714595 14 1 0 -3.442347 -0.713664 0.864675 15 1 0 -2.458615 -1.869311 0.009577 16 6 0 0.286437 -1.550076 -0.210769 17 6 0 1.671921 -1.792996 -0.793799 18 1 0 -0.459701 -1.868409 -0.920128 19 1 0 0.164146 -2.138350 0.687958 20 1 0 1.878384 -1.196144 -1.672366 21 1 0 1.700295 -2.832459 -1.099333 22 1 0 2.462036 -1.651883 -0.070322 23 6 0 0.928500 0.458089 1.151600 24 6 0 2.171181 1.136128 0.582590 25 1 0 1.204541 -0.359062 1.802920 26 1 0 0.389499 1.176491 1.749231 27 1 0 2.763633 0.504385 -0.060178 28 1 0 2.788872 1.407676 1.431112 29 1 0 1.938718 2.049597 0.053123 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6950202 1.3479269 1.0333364 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 540.0190208208 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -368.818909922 A.U. after 7 cycles Convg = 0.4619D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000011268 -0.000008849 -0.000036750 2 6 -0.000014488 -0.000020384 0.000002377 3 1 0.000004295 0.000005028 -0.000007781 4 1 0.000001393 -0.000001342 0.000013706 5 1 0.000000699 0.000008498 -0.000000985 6 7 -0.000019813 0.000018484 0.000016728 7 1 -0.000010111 0.000001388 -0.000007328 8 1 0.000014376 -0.000005730 -0.000018374 9 6 0.000002484 0.000009550 0.000028792 10 6 -0.000007404 -0.000003973 -0.000012654 11 1 0.000005253 0.000029483 0.000013615 12 1 -0.000005669 0.000022505 0.000004429 13 1 -0.000003866 -0.000006419 -0.000010497 14 1 0.000007311 0.000007172 -0.000001351 15 1 0.000001122 -0.000000968 0.000000891 16 6 0.000010833 -0.000009456 -0.000023209 17 6 0.000017514 0.000007000 0.000014445 18 1 -0.000000442 -0.000008523 0.000006226 19 1 0.000015262 -0.000008262 0.000018013 20 1 0.000000237 -0.000007134 -0.000001106 21 1 0.000002812 0.000000214 0.000006375 22 1 0.000005355 0.000007269 -0.000000581 23 6 0.000009475 -0.000024684 -0.000005282 24 6 -0.000008590 0.000018139 -0.000008248 25 1 -0.000026113 -0.000002542 -0.000002162 26 1 -0.000005910 -0.000024148 0.000009875 27 1 0.000004040 0.000007318 -0.000002842 28 1 -0.000009000 -0.000006007 -0.000001361 29 1 -0.000002323 -0.000003627 0.000005040 ------------------------------------------------------------------- Cartesian Forces: Max 0.000036750 RMS 0.000011965 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000056300 RMS 0.000014512 Search for a local minimum. Step number 11 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 DE= -1.32D-07 DEPred=-3.44D-07 R= 3.84D-01 Trust test= 3.84D-01 RLast= 9.89D-03 DXMaxT set to 4.68D-01 Eigenvalues --- 0.00213 0.00230 0.00238 0.00267 0.00321 Eigenvalues --- 0.00656 0.00810 0.01146 0.03176 0.03269 Eigenvalues --- 0.03487 0.03926 0.04631 0.04689 0.04726 Eigenvalues --- 0.04876 0.04925 0.04994 0.05049 0.05068 Eigenvalues --- 0.05550 0.05774 0.05816 0.05869 0.05923 Eigenvalues --- 0.06617 0.07009 0.08887 0.09093 0.09178 Eigenvalues --- 0.09636 0.12448 0.12616 0.12752 0.12887 Eigenvalues --- 0.14824 0.15467 0.15835 0.15965 0.15980 Eigenvalues --- 0.16000 0.16000 0.16017 0.16052 0.16101 Eigenvalues --- 0.16240 0.16324 0.16516 0.18274 0.22267 Eigenvalues --- 0.23310 0.25771 0.27703 0.28221 0.28364 Eigenvalues --- 0.29234 0.29610 0.30317 0.32094 0.32141 Eigenvalues --- 0.32191 0.32278 0.32387 0.32443 0.32450 Eigenvalues --- 0.32524 0.32541 0.32550 0.32645 0.32667 Eigenvalues --- 0.32752 0.32815 0.32892 0.32933 0.33189 Eigenvalues --- 0.33208 0.33719 0.35009 0.36272 0.38196 Eigenvalues --- 0.477851000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 11 10 9 8 7 RFO step: Lambda=-7.60250561D-08. DIIS coeffs: 0.50527 0.33393 0.15035 0.00765 0.00280 Iteration 1 RMS(Cart)= 0.00057191 RMS(Int)= 0.00000020 Iteration 2 RMS(Cart)= 0.00000027 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.88052 -0.00001 0.00001 -0.00005 -0.00003 2.88049 R2 2.04411 0.00001 0.00002 -0.00001 0.00001 2.04412 R3 2.04751 0.00001 0.00003 -0.00001 0.00002 2.04753 R4 2.04535 -0.00000 -0.00000 0.00001 0.00001 2.04536 R5 2.85825 -0.00006 0.00000 -0.00010 -0.00010 2.85815 R6 2.03454 -0.00000 -0.00001 -0.00000 -0.00001 2.03453 R7 2.03929 -0.00000 -0.00002 0.00002 0.00001 2.03930 R8 2.87544 0.00003 0.00013 -0.00009 0.00004 2.87548 R9 2.87089 0.00006 0.00005 0.00003 0.00008 2.87097 R10 2.88274 0.00004 -0.00002 0.00009 0.00006 2.88280 R11 2.87858 -0.00001 -0.00001 -0.00003 -0.00004 2.87854 R12 2.03629 0.00001 -0.00000 0.00001 0.00001 2.03630 R13 2.04288 -0.00001 -0.00001 -0.00001 -0.00003 2.04285 R14 2.04546 -0.00001 -0.00001 -0.00000 -0.00001 2.04545 R15 2.04801 0.00001 0.00002 -0.00000 0.00001 2.04802 R16 2.04312 0.00000 0.00000 -0.00001 -0.00000 2.04312 R17 2.87741 -0.00000 -0.00000 -0.00000 -0.00000 2.87741 R18 2.03639 -0.00000 -0.00000 -0.00001 -0.00001 2.03638 R19 2.04294 -0.00001 -0.00001 -0.00000 -0.00001 2.04293 R20 2.04470 -0.00000 0.00000 -0.00000 -0.00000 2.04469 R21 2.04810 0.00000 0.00001 0.00000 0.00001 2.04811 R22 2.04197 -0.00001 0.00001 -0.00001 0.00000 2.04197 R23 2.88316 -0.00000 0.00001 -0.00004 -0.00002 2.88313 R24 2.04244 -0.00001 -0.00001 -0.00001 -0.00002 2.04241 R25 2.03862 -0.00002 -0.00002 -0.00002 -0.00003 2.03858 R26 2.03815 -0.00001 0.00001 -0.00000 0.00001 2.03815 R27 2.04865 0.00001 0.00002 -0.00000 0.00001 2.04866 R28 2.04300 0.00000 0.00000 0.00000 0.00001 2.04301 A1 1.96562 -0.00001 -0.00001 -0.00001 -0.00001 1.96560 A2 1.87605 -0.00001 0.00001 -0.00006 -0.00005 1.87600 A3 1.97461 0.00001 0.00003 0.00000 0.00003 1.97464 A4 1.87198 0.00001 -0.00002 0.00002 0.00001 1.87198 A5 1.89605 -0.00001 -0.00003 0.00002 -0.00001 1.89604 A6 1.87453 0.00000 0.00001 0.00003 0.00004 1.87456 A7 2.01780 -0.00005 -0.00004 -0.00010 -0.00014 2.01765 A8 1.92657 0.00001 -0.00000 0.00005 0.00005 1.92662 A9 1.92024 0.00002 0.00004 -0.00000 0.00004 1.92028 A10 1.85970 0.00002 0.00007 0.00001 0.00008 1.85978 A11 1.85915 -0.00000 -0.00010 0.00000 -0.00010 1.85905 A12 1.87377 -0.00000 0.00005 0.00004 0.00009 1.87386 A13 1.93962 -0.00002 -0.00009 -0.00013 -0.00022 1.93940 A14 1.90902 0.00001 -0.00003 -0.00000 -0.00004 1.90898 A15 1.96159 -0.00002 -0.00011 0.00000 -0.00011 1.96149 A16 1.87071 -0.00001 -0.00003 0.00013 0.00011 1.87082 A17 1.84175 0.00003 0.00011 0.00007 0.00019 1.84194 A18 1.93844 0.00001 0.00015 -0.00007 0.00008 1.93852 A19 2.03837 -0.00000 0.00004 -0.00004 -0.00000 2.03837 A20 1.85622 0.00001 0.00004 -0.00001 0.00004 1.85626 A21 1.84308 0.00001 0.00004 0.00008 0.00012 1.84320 A22 1.91874 -0.00002 -0.00008 -0.00005 -0.00013 1.91860 A23 1.92315 -0.00001 -0.00005 0.00002 -0.00003 1.92312 A24 1.87640 0.00000 0.00001 0.00001 0.00001 1.87641 A25 1.97271 -0.00001 -0.00000 -0.00007 -0.00008 1.97263 A26 1.86545 0.00001 0.00005 -0.00001 0.00004 1.86549 A27 1.97579 0.00000 -0.00001 0.00004 0.00002 1.97582 A28 1.87093 0.00000 -0.00002 0.00004 0.00002 1.87095 A29 1.90274 0.00000 0.00000 0.00001 0.00001 1.90275 A30 1.87009 -0.00000 -0.00001 0.00000 -0.00001 1.87009 A31 2.05779 0.00004 0.00001 0.00000 0.00001 2.05780 A32 1.84810 -0.00001 -0.00005 0.00001 -0.00003 1.84807 A33 1.84649 0.00001 0.00012 0.00006 0.00018 1.84667 A34 1.90799 -0.00002 -0.00005 -0.00008 -0.00014 1.90785 A35 1.91180 -0.00002 -0.00001 0.00003 0.00002 1.91181 A36 1.88406 0.00000 -0.00001 -0.00002 -0.00003 1.88403 A37 1.97853 0.00001 0.00005 -0.00001 0.00004 1.97857 A38 1.85957 0.00000 0.00006 -0.00005 0.00001 1.85958 A39 1.96940 -0.00001 -0.00009 0.00003 -0.00005 1.96935 A40 1.87041 -0.00001 -0.00001 -0.00000 -0.00001 1.87039 A41 1.90931 -0.00000 -0.00003 0.00001 -0.00001 1.90930 A42 1.87010 0.00000 0.00002 0.00001 0.00003 1.87013 A43 2.06228 -0.00002 0.00003 -0.00010 -0.00007 2.06221 A44 1.84015 0.00002 0.00011 0.00010 0.00021 1.84036 A45 1.85408 0.00001 0.00004 -0.00003 0.00002 1.85410 A46 1.93127 -0.00000 -0.00014 0.00012 -0.00002 1.93125 A47 1.89401 -0.00001 -0.00002 -0.00009 -0.00012 1.89389 A48 1.87260 -0.00000 -0.00001 -0.00000 -0.00001 1.87259 A49 1.99256 -0.00001 -0.00012 0.00001 -0.00011 1.99245 A50 1.85823 0.00001 0.00001 0.00005 0.00006 1.85828 A51 1.96385 0.00001 0.00013 -0.00009 0.00004 1.96389 A52 1.87569 0.00000 -0.00002 0.00004 0.00002 1.87571 A53 1.89775 -0.00000 0.00001 -0.00002 -0.00000 1.89775 A54 1.86941 -0.00001 -0.00002 0.00002 0.00000 1.86941 D1 -1.22803 0.00001 0.00004 -0.00003 0.00001 -1.22801 D2 2.94315 0.00001 -0.00002 -0.00001 -0.00003 2.94313 D3 0.87834 -0.00001 -0.00010 -0.00010 -0.00019 0.87814 D4 2.99705 0.00001 0.00006 -0.00001 0.00004 2.99709 D5 0.88504 0.00001 0.00000 0.00000 0.00000 0.88505 D6 -1.17977 -0.00001 -0.00008 -0.00008 -0.00016 -1.17993 D7 0.93055 0.00001 0.00002 -0.00001 0.00001 0.93057 D8 -1.18145 0.00000 -0.00004 0.00001 -0.00002 -1.18148 D9 3.03691 -0.00002 -0.00011 -0.00008 -0.00019 3.03672 D10 0.91664 -0.00000 -0.00066 -0.00002 -0.00068 0.91597 D11 2.97867 -0.00002 -0.00077 0.00007 -0.00070 2.97797 D12 -1.14297 -0.00001 -0.00067 -0.00002 -0.00069 -1.14367 D13 3.06436 0.00000 -0.00064 -0.00001 -0.00065 3.06371 D14 -1.15680 -0.00002 -0.00075 0.00008 -0.00067 -1.15747 D15 1.00474 -0.00001 -0.00065 -0.00001 -0.00066 1.00408 D16 -1.22248 0.00001 -0.00060 0.00005 -0.00055 -1.22303 D17 0.83954 -0.00001 -0.00071 0.00013 -0.00058 0.83897 D18 3.00109 -0.00000 -0.00061 0.00004 -0.00057 3.00052 D19 1.06163 0.00001 0.00077 0.00016 0.00093 1.06256 D20 -1.08702 0.00002 0.00081 0.00027 0.00108 -1.08594 D21 -3.07750 0.00001 0.00076 0.00023 0.00099 -3.07651 D22 -1.02341 0.00002 0.00088 0.00016 0.00104 -1.02237 D23 3.11113 0.00003 0.00092 0.00026 0.00118 3.11231 D24 1.12064 0.00001 0.00087 0.00022 0.00110 1.12174 D25 -3.09072 -0.00001 0.00066 0.00014 0.00080 -3.08992 D26 1.04382 0.00000 0.00070 0.00024 0.00094 1.04476 D27 -0.94667 -0.00001 0.00065 0.00020 0.00086 -0.94581 D28 1.20371 -0.00000 -0.00007 0.00003 -0.00005 1.20366 D29 -0.93748 0.00001 0.00003 0.00012 0.00015 -0.93733 D30 -2.93458 0.00001 0.00001 0.00011 0.00012 -2.93445 D31 -2.97489 -0.00003 -0.00022 -0.00005 -0.00027 -2.97516 D32 1.16710 -0.00002 -0.00011 0.00004 -0.00007 1.16704 D33 -0.82999 -0.00002 -0.00013 0.00003 -0.00010 -0.83009 D34 -0.97140 0.00001 -0.00002 0.00007 0.00006 -0.97134 D35 -3.11258 0.00002 0.00009 0.00017 0.00026 -3.11232 D36 1.17351 0.00002 0.00007 0.00016 0.00023 1.17373 D37 -0.63057 -0.00000 0.00023 0.00004 0.00028 -0.63029 D38 -2.79915 -0.00000 0.00031 -0.00014 0.00017 -2.79898 D39 1.50005 -0.00002 0.00026 -0.00017 0.00009 1.50014 D40 -2.74719 0.00002 0.00033 0.00015 0.00049 -2.74671 D41 1.36741 0.00002 0.00041 -0.00003 0.00038 1.36780 D42 -0.61657 0.00000 0.00036 -0.00006 0.00030 -0.61627 D43 1.51452 0.00001 0.00022 -0.00001 0.00021 1.51473 D44 -0.65406 0.00000 0.00030 -0.00019 0.00011 -0.65395 D45 -2.63804 -0.00001 0.00025 -0.00023 0.00002 -2.63802 D46 -1.01418 0.00000 0.00011 0.00015 0.00025 -1.01392 D47 -3.06828 0.00000 0.00010 0.00015 0.00025 -3.06803 D48 1.16007 -0.00000 0.00009 0.00013 0.00022 1.16029 D49 1.10190 0.00001 0.00013 0.00007 0.00020 1.10210 D50 -0.95221 0.00001 0.00013 0.00007 0.00019 -0.95202 D51 -3.00704 0.00000 0.00012 0.00004 0.00016 -3.00688 D52 -3.11626 -0.00001 0.00006 0.00006 0.00011 -3.11614 D53 1.11282 -0.00001 0.00006 0.00005 0.00011 1.11293 D54 -0.94201 -0.00001 0.00005 0.00003 0.00008 -0.94193 D55 -0.98180 0.00001 0.00069 -0.00034 0.00035 -0.98145 D56 -3.03477 0.00001 0.00064 -0.00031 0.00033 -3.03444 D57 1.20090 0.00001 0.00063 -0.00031 0.00032 1.20122 D58 1.12873 0.00001 0.00059 -0.00039 0.00020 1.12893 D59 -0.92424 0.00001 0.00054 -0.00036 0.00018 -0.92406 D60 -2.97175 0.00001 0.00053 -0.00036 0.00017 -2.97158 D61 -3.09333 -0.00001 0.00054 -0.00045 0.00009 -3.09324 D62 1.13689 -0.00001 0.00049 -0.00041 0.00008 1.13696 D63 -0.91063 -0.00001 0.00048 -0.00041 0.00006 -0.91057 D64 -0.99811 -0.00000 -0.00063 0.00053 -0.00010 -0.99821 D65 -3.06471 -0.00001 -0.00054 0.00045 -0.00009 -3.06481 D66 1.17567 -0.00001 -0.00060 0.00045 -0.00015 1.17552 D67 1.12462 0.00001 -0.00058 0.00071 0.00012 1.12475 D68 -0.94198 0.00001 -0.00049 0.00062 0.00013 -0.94185 D69 -2.98478 0.00001 -0.00055 0.00062 0.00007 -2.98471 D70 -3.10834 -0.00000 -0.00069 0.00072 0.00003 -3.10831 D71 1.10825 -0.00000 -0.00060 0.00063 0.00003 1.10828 D72 -0.93456 -0.00001 -0.00066 0.00063 -0.00003 -0.93459 Item Value Threshold Converged? Maximum Force 0.000056 0.000450 YES RMS Force 0.000015 0.000300 YES Maximum Displacement 0.002262 0.001800 NO RMS Displacement 0.000572 0.001200 YES Predicted change in Energy=-1.273527D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.121867 3.344906 1.022160 2 6 0 -3.997878 2.321591 1.135912 3 1 0 -4.761610 4.331658 0.764061 4 1 0 -5.594086 3.419287 1.994507 5 1 0 -5.886847 3.059237 0.311738 6 7 0 -3.337854 1.928178 -0.166834 7 1 0 -4.362424 1.412104 1.582073 8 1 0 -3.214997 2.701991 1.773844 9 6 0 -2.878552 3.154923 -0.941123 10 6 0 -1.850887 4.050693 -0.261549 11 1 0 -3.766991 3.721201 -1.167280 12 1 0 -2.485870 2.778916 -1.875492 13 1 0 -2.188188 4.433254 0.693165 14 1 0 -1.697364 4.903585 -0.912362 15 1 0 -0.889936 3.572967 -0.130085 16 6 0 -2.102630 1.093502 0.125853 17 6 0 -2.305344 -0.302433 0.699237 18 1 0 -1.507761 1.676638 0.809458 19 1 0 -1.564715 1.025601 -0.809430 20 1 0 -2.881031 -0.310582 1.615345 21 1 0 -1.319463 -0.684376 0.937578 22 1 0 -2.749295 -0.986554 -0.009637 23 6 0 -4.290778 1.188676 -1.100784 24 6 0 -5.311465 0.238025 -0.482573 25 1 0 -3.657273 0.664249 -1.802050 26 1 0 -4.821075 1.948199 -1.653648 27 1 0 -4.877779 -0.543365 0.121253 28 1 0 -5.828089 -0.237693 -1.308453 29 1 0 -6.057852 0.755920 0.103516 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524291 0.000000 3 H 1.081702 2.182184 0.000000 4 H 1.083504 2.118962 1.743398 0.000000 5 H 1.082359 2.188970 1.757785 1.745582 0.000000 6 N 2.569733 1.512465 2.944548 3.461991 2.829433 7 H 2.150809 1.076624 3.058151 2.390790 2.578888 8 H 2.148143 1.079149 2.463226 2.494648 3.066620 9 C 2.987145 2.502280 2.799690 4.007734 3.260161 10 C 3.584041 3.090672 3.098891 4.415880 4.195308 11 H 2.602102 2.704978 2.256547 3.664195 2.668235 12 H 3.957931 3.400569 3.815395 5.004796 4.053295 13 H 3.146301 2.816047 2.576402 3.784410 3.964023 14 H 4.230730 4.019264 3.539364 5.083057 4.738333 15 H 4.391915 3.581618 4.045363 5.163965 5.042642 16 C 3.871431 2.473942 4.238294 4.592539 4.268368 17 C 4.619542 3.152913 5.245212 5.132714 4.927286 18 H 3.986241 2.592917 4.199848 4.597741 4.619058 19 H 4.624633 3.374053 4.860661 5.461468 4.906478 20 H 4.328488 2.899231 5.080517 4.627781 4.700000 21 H 5.540806 4.031014 6.085973 6.019098 5.938628 22 H 5.045319 3.716862 5.738588 5.614344 5.129907 23 C 3.137982 2.524302 3.684789 4.031757 2.835781 24 C 3.457294 2.947246 4.314426 4.041810 2.986844 25 H 4.160183 3.390341 4.610247 5.074970 3.895519 26 H 3.033351 2.932357 3.395546 4.008826 2.496601 27 H 3.998732 3.164132 4.918591 4.441259 3.746097 28 H 4.331919 3.984285 5.129489 4.933336 3.673992 29 H 2.902210 2.785797 3.860371 3.299159 2.319023 6 7 8 9 10 6 N 0.000000 7 H 2.091590 0.000000 8 H 2.092871 1.737001 0.000000 9 C 1.521639 3.406730 2.772974 0.000000 10 C 2.593282 4.082757 2.796894 1.523260 0.000000 11 H 2.097613 3.639424 3.161280 1.077562 2.144847 12 H 2.090250 4.164659 3.722257 1.081030 2.150682 13 H 2.887340 3.826853 2.284617 2.186693 1.082406 14 H 3.478515 5.051256 3.790241 2.110415 1.083768 15 H 2.949403 4.433845 3.128810 2.187953 1.081171 16 C 1.519252 2.707167 2.557435 2.447438 2.993064 17 C 2.606105 2.819684 3.317954 3.869453 4.480999 18 H 2.089415 2.969177 2.212701 2.670005 2.626961 19 H 2.090837 3.700790 3.493855 2.505499 3.087596 20 H 2.897739 2.272285 3.035169 4.306421 4.858461 21 H 3.481244 3.751028 3.969870 4.549779 4.913369 22 H 2.977713 3.299892 4.123475 4.246906 5.122934 23 C 1.525514 2.693098 3.422121 2.426109 3.853379 24 C 2.617528 2.557715 3.944328 3.825916 5.153726 25 H 2.091286 3.536780 4.139446 2.747919 4.135720 26 H 2.100229 3.311744 3.859454 2.395260 3.896208 27 H 2.926241 2.494683 4.003527 4.336229 5.514887 28 H 3.492215 3.636639 4.997053 4.510493 5.941750 29 H 2.974167 2.343328 3.828709 4.117576 5.356058 11 12 13 14 15 11 H 0.000000 12 H 1.740901 0.000000 13 H 2.541828 3.069763 0.000000 14 H 2.397159 2.462434 1.743512 0.000000 15 H 3.061893 2.494788 1.761616 1.741965 0.000000 16 C 3.368544 2.644404 3.388673 3.969744 2.771981 17 C 4.670110 4.019520 4.737140 5.483568 4.208311 18 H 3.632058 3.062787 2.841731 3.662485 2.204657 19 H 3.499190 2.249251 3.776057 3.881617 2.721380 20 H 4.978272 4.678364 4.882051 5.914212 4.700312 21 H 5.461677 4.611752 5.196590 5.898338 4.410144 22 H 4.953665 4.210650 5.493913 6.051050 4.925541 23 C 2.586978 2.527198 4.262209 4.534518 4.265305 24 C 3.871271 4.047264 5.360706 5.917254 5.549415 25 H 3.124088 2.418553 4.752862 4.754446 4.349053 26 H 2.119241 2.488471 4.314524 4.363643 4.518292 27 H 4.591371 4.554753 5.685746 6.391609 5.736745 28 H 4.465523 4.537830 6.250847 6.607005 6.347837 29 H 3.956748 4.557197 5.370732 6.103195 5.890473 16 17 18 19 20 16 C 0.000000 17 C 1.522662 0.000000 18 H 1.077605 2.136589 0.000000 19 H 1.081072 2.142028 1.745821 0.000000 20 H 2.189965 1.082005 2.546442 3.065552 0.000000 21 H 2.105492 1.083811 2.371974 2.456869 1.742866 22 H 2.182468 1.080563 3.050396 2.468130 1.764896 23 C 2.510316 3.066828 3.410618 2.746435 3.407715 24 C 3.376188 3.274987 4.266980 3.842558 3.257183 25 H 2.513560 3.003103 3.530624 2.344071 3.637504 26 H 3.359624 4.114647 4.137473 3.488233 4.421784 27 H 3.221926 2.647553 4.093783 3.782092 2.504696 28 H 4.208130 4.055212 5.178363 4.474517 4.151994 29 H 3.969665 3.944149 4.695679 4.592873 3.676309 21 22 23 24 25 21 H 0.000000 22 H 1.741535 0.000000 23 C 4.061029 2.880694 0.000000 24 C 4.336327 2.878885 1.525688 0.000000 25 H 3.845739 2.600446 1.080798 2.158480 0.000000 26 H 5.089812 3.950673 1.078771 2.129928 1.739248 27 H 3.653475 2.178071 2.199525 1.078545 2.578190 28 H 5.056865 3.424426 2.107363 1.084105 2.401995 29 H 5.022195 3.741066 2.181781 1.081115 3.066328 26 27 28 29 26 H 0.000000 27 H 3.059637 0.000000 28 H 2.431329 1.743727 0.000000 29 H 2.457392 1.755286 1.741756 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.809336 2.102405 -0.878897 2 6 0 -0.224867 0.709011 -1.079676 3 1 0 -1.861108 2.080103 -0.627186 4 1 0 -0.714902 2.633577 -1.818536 5 1 0 -0.285938 2.678894 -0.127089 6 7 0 -0.084104 -0.127374 0.172601 7 1 0 0.756603 0.773491 -1.517489 8 1 0 -0.843855 0.142984 -1.758666 9 6 0 -1.397900 -0.195004 0.937291 10 6 0 -2.584411 -0.814513 0.210160 11 1 0 -1.632249 0.815830 1.227871 12 1 0 -1.181369 -0.750718 1.838913 13 1 0 -2.825698 -0.307298 -0.715105 14 1 0 -3.442449 -0.713037 0.864398 15 1 0 -2.458384 -1.869692 0.011047 16 6 0 0.286188 -1.550134 -0.210497 17 6 0 1.671593 -1.793473 -0.793539 18 1 0 -0.459941 -1.868282 -0.919938 19 1 0 0.163674 -2.138442 0.688170 20 1 0 1.878342 -1.196562 -1.671996 21 1 0 1.699601 -2.832897 -1.099249 22 1 0 2.461709 -1.652747 -0.069986 23 6 0 0.928761 0.458253 1.151549 24 6 0 2.171337 1.136206 0.582242 25 1 0 1.204931 -0.358695 1.803048 26 1 0 0.389927 1.176831 1.749086 27 1 0 2.763627 0.504276 -0.060499 28 1 0 2.789202 1.407924 1.430592 29 1 0 1.938815 2.049566 0.052604 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6950405 1.3480022 1.0333234 Standard basis: 6-31G(d) (6D, 7F) There are 175 symmetry adapted basis functions of A symmetry. Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. 175 basis functions, 332 primitive gaussians, 175 cartesian basis functions 37 alpha electrons 37 beta electrons nuclear repulsion energy 540.0222892084 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 7.50D-01 NAtFMM= 80 NAOKFM=F Big=F One-electron integrals computed using PRISM. NBasis= 175 RedAO= T NBF= 175 NBsUse= 175 1.00D-06 NBFU= 175 Initial guess read from the read-write file. B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000000 0.000000 0.000000 Ang= 0.00 deg. Initial guess orbital symmetries: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -368.818910041 A.U. after 6 cycles Convg = 0.9493D-08 -V/T = 2.0006 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000004253 -0.000003156 0.000002186 2 6 -0.000003014 -0.000003356 0.000004929 3 1 -0.000003098 -0.000000136 0.000004071 4 1 -0.000003698 0.000002633 0.000003439 5 1 0.000000136 0.000003097 0.000001368 6 7 0.000006516 -0.000001650 -0.000003026 7 1 -0.000002137 0.000006122 0.000001801 8 1 -0.000002603 -0.000003972 -0.000003120 9 6 -0.000000490 -0.000003551 -0.000001996 10 6 -0.000000356 0.000000381 -0.000002052 11 1 0.000006170 -0.000001653 -0.000003456 12 1 0.000001084 0.000000076 0.000000356 13 1 0.000002132 0.000001613 -0.000002583 14 1 0.000002253 0.000002262 0.000000958 15 1 0.000000467 -0.000001418 0.000000570 16 6 0.000006170 -0.000000114 -0.000002962 17 6 0.000002898 0.000000543 -0.000000686 18 1 0.000001186 0.000002841 0.000000868 19 1 -0.000000844 0.000000418 -0.000000422 20 1 0.000000115 -0.000001298 0.000000164 21 1 0.000000437 0.000000374 0.000001159 22 1 -0.000000625 -0.000000030 0.000000219 23 6 -0.000006282 0.000002603 -0.000005118 24 6 -0.000000806 -0.000001175 0.000000909 25 1 0.000000469 0.000002312 0.000005363 26 1 0.000002096 0.000001225 -0.000002024 27 1 -0.000000702 -0.000000849 -0.000001993 28 1 -0.000002430 -0.000002267 0.000001002 29 1 -0.000000792 -0.000001875 0.000000077 ------------------------------------------------------------------- Cartesian Forces: Max 0.000006516 RMS 0.000002614 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. Internal Forces: Max 0.000024133 RMS 0.000004451 Search for a local minimum. Step number 12 out of a maximum of 164 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swaping is turned off. Update second derivatives using D2CorX and points 2 4 3 5 6 7 8 9 10 11 12 DE= -1.19D-07 DEPred=-1.27D-07 R= 9.33D-01 Trust test= 9.33D-01 RLast= 3.86D-03 DXMaxT set to 4.68D-01 Eigenvalues --- 0.00218 0.00226 0.00241 0.00267 0.00322 Eigenvalues --- 0.00666 0.00797 0.01124 0.03191 0.03244 Eigenvalues --- 0.03545 0.03905 0.04633 0.04689 0.04728 Eigenvalues --- 0.04877 0.04931 0.04994 0.05045 0.05054 Eigenvalues --- 0.05576 0.05768 0.05817 0.05846 0.05919 Eigenvalues --- 0.06703 0.07568 0.08880 0.09114 0.09190 Eigenvalues --- 0.09753 0.12533 0.12617 0.12709 0.12941 Eigenvalues --- 0.15316 0.15414 0.15791 0.15895 0.15971 Eigenvalues --- 0.15998 0.16000 0.16008 0.16044 0.16083 Eigenvalues --- 0.16192 0.16234 0.16540 0.18900 0.23075 Eigenvalues --- 0.23342 0.25835 0.27618 0.28146 0.28404 Eigenvalues --- 0.29295 0.29750 0.31256 0.32091 0.32145 Eigenvalues --- 0.32207 0.32262 0.32391 0.32442 0.32489 Eigenvalues --- 0.32523 0.32541 0.32549 0.32657 0.32687 Eigenvalues --- 0.32750 0.32823 0.32901 0.32948 0.33206 Eigenvalues --- 0.33289 0.33747 0.35766 0.36699 0.39145 Eigenvalues --- 0.490741000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000 Eigenvalues --- 1000.000001000.000001000.000001000.00000 En-DIIS/RFO-DIIS IScMMF= 0 using points: 12 11 10 9 8 RFO step: Lambda= 0.00000000D+00. DIIS coeffs: 0.66103 0.15558 0.11223 0.06631 0.00485 Iteration 1 RMS(Cart)= 0.00013988 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (DIIS) (GDIIS) (Total) R1 2.88049 0.00001 0.00002 -0.00000 0.00002 2.88051 R2 2.04412 -0.00000 0.00000 -0.00001 -0.00000 2.04412 R3 2.04753 0.00000 0.00001 0.00001 0.00001 2.04754 R4 2.04536 -0.00000 -0.00000 -0.00000 -0.00000 2.04536 R5 2.85815 0.00002 0.00004 0.00000 0.00004 2.85819 R6 2.03453 -0.00000 -0.00000 -0.00001 -0.00001 2.03451 R7 2.03930 -0.00001 -0.00001 -0.00001 -0.00001 2.03928 R8 2.87548 0.00001 0.00004 -0.00001 0.00003 2.87551 R9 2.87097 0.00001 -0.00000 0.00003 0.00002 2.87099 R10 2.88280 0.00001 -0.00002 0.00004 0.00001 2.88282 R11 2.87854 0.00000 0.00001 -0.00001 0.00000 2.87855 R12 2.03630 -0.00001 -0.00000 -0.00001 -0.00001 2.03628 R13 2.04285 0.00000 0.00000 -0.00001 -0.00000 2.04285 R14 2.04545 -0.00000 0.00000 -0.00001 -0.00001 2.04544 R15 2.04802 0.00000 0.00000 0.00000 0.00000 2.04803 R16 2.04312 0.00000 0.00000 -0.00000 -0.00000 2.04312 R17 2.87741 0.00000 0.00000 -0.00000 -0.00000 2.87741 R18 2.03638 0.00000 0.00000 -0.00000 0.00000 2.03638 R19 2.04293 -0.00000 0.00000 -0.00001 -0.00000 2.04293 R20 2.04469 0.00000 0.00000 -0.00000 -0.00000 2.04469 R21 2.04811 0.00000 0.00000 -0.00000 0.00000 2.04811 R22 2.04197 0.00000 0.00000 -0.00000 -0.00000 2.04197 R23 2.88313 0.00001 0.00002 -0.00000 0.00001 2.88314 R24 2.04241 -0.00000 0.00000 -0.00002 -0.00001 2.04240 R25 2.03858 0.00000 0.00001 -0.00001 -0.00000 2.03858 R26 2.03815 -0.00000 0.00000 -0.00000 -0.00000 2.03815 R27 2.04866 0.00000 0.00000 -0.00000 0.00000 2.04867 R28 2.04301 -0.00000 -0.00000 0.00000 0.00000 2.04301 A1 1.96560 0.00000 0.00000 0.00001 0.00001 1.96562 A2 1.87600 0.00000 0.00002 -0.00002 0.00000 1.87600 A3 1.97464 0.00000 0.00000 0.00002 0.00002 1.97466 A4 1.87198 -0.00000 -0.00001 -0.00002 -0.00003 1.87196 A5 1.89604 -0.00000 -0.00001 0.00000 -0.00000 1.89604 A6 1.87456 -0.00000 -0.00001 0.00000 -0.00001 1.87456 A7 2.01765 0.00002 0.00003 0.00004 0.00007 2.01773 A8 1.92662 -0.00001 -0.00002 -0.00003 -0.00005 1.92657 A9 1.92028 -0.00000 0.00001 0.00001 0.00001 1.92029 A10 1.85978 -0.00000 0.00000 -0.00001 -0.00000 1.85977 A11 1.85905 -0.00001 -0.00001 -0.00002 -0.00002 1.85903 A12 1.87386 0.00000 -0.00001 0.00001 -0.00001 1.87385 A13 1.93940 0.00001 0.00004 0.00004 0.00008 1.93947 A14 1.90898 -0.00000 -0.00000 -0.00000 -0.00000 1.90898 A15 1.96149 -0.00001 0.00000 -0.00004 -0.00003 1.96145 A16 1.87082 -0.00001 -0.00005 -0.00001 -0.00006 1.87076 A17 1.84194 -0.00000 -0.00003 0.00002 -0.00001 1.84193 A18 1.93852 0.00001 0.00003 -0.00000 0.00003 1.93856 A19 2.03837 0.00000 0.00001 0.00001 0.00003 2.03839 A20 1.85626 0.00000 0.00000 0.00003 0.00004 1.85629 A21 1.84320 -0.00000 -0.00003 0.00000 -0.00002 1.84318 A22 1.91860 -0.00000 0.00002 -0.00001 0.00001 1.91861 A23 1.92312 -0.00000 -0.00001 -0.00002 -0.00003 1.92309 A24 1.87641 -0.00000 -0.00000 -0.00001 -0.00001 1.87639 A25 1.97263 0.00000 0.00002 -0.00002 0.00001 1.97264 A26 1.86549 0.00000 0.00001 0.00001 0.00002 1.86551 A27 1.97582 -0.00000 -0.00001 0.00001 -0.00001 1.97581 A28 1.87095 -0.00000 -0.00002 0.00000 -0.00001 1.87094 A29 1.90275 -0.00000 -0.00000 -0.00000 -0.00000 1.90275 A30 1.87009 -0.00000 -0.00000 -0.00000 -0.00001 1.87008 A31 2.05780 0.00001 -0.00000 0.00002 0.00002 2.05782 A32 1.84807 -0.00000 -0.00001 -0.00001 -0.00002 1.84805 A33 1.84667 -0.00000 -0.00001 0.00001 0.00000 1.84667 A34 1.90785 -0.00000 0.00002 -0.00003 -0.00001 1.90785 A35 1.91181 -0.00000 -0.00001 0.00001 0.00000 1.91182 A36 1.88403 0.00000 0.00000 -0.00001 -0.00000 1.88403 A37 1.97857 0.00000 0.00001 0.00001 0.00001 1.97859 A38 1.85958 -0.00000 0.00002 -0.00002 0.00000 1.85958 A39 1.96935 -0.00000 -0.00002 0.00001 -0.00001 1.96934 A40 1.87039 -0.00000 -0.00000 -0.00000 -0.00001 1.87038 A41 1.90930 -0.00000 -0.00001 -0.00000 -0.00001 1.90929 A42 1.87013 0.00000 -0.00000 0.00001 0.00001 1.87013 A43 2.06221 0.00001 0.00004 -0.00004 0.00001 2.06222 A44 1.84036 -0.00000 -0.00003 0.00001 -0.00001 1.84034 A45 1.85410 -0.00000 0.00001 -0.00001 -0.00001 1.85409 A46 1.93125 -0.00000 -0.00005 0.00004 -0.00001 1.93124 A47 1.89389 0.00000 0.00003 -0.00001 0.00002 1.89391 A48 1.87259 0.00000 -0.00000 0.00001 0.00000 1.87260 A49 1.99245 -0.00000 -0.00001 -0.00001 -0.00002 1.99243 A50 1.85828 0.00000 -0.00001 0.00003 0.00002 1.85830 A51 1.96389 0.00000 0.00004 -0.00002 0.00002 1.96391 A52 1.87571 -0.00000 -0.00002 0.00000 -0.00001 1.87569 A53 1.89775 -0.00000 0.00001 -0.00001 0.00000 1.89775 A54 1.86941 -0.00000 -0.00001 0.00000 -0.00001 1.86940 D1 -1.22801 -0.00000 -0.00004 -0.00021 -0.00025 -1.22826 D2 2.94313 -0.00000 -0.00005 -0.00020 -0.00026 2.94287 D3 0.87814 0.00000 -0.00002 -0.00020 -0.00022 0.87792 D4 2.99709 0.00000 -0.00004 -0.00018 -0.00022 2.99687 D5 0.88505 -0.00000 -0.00005 -0.00018 -0.00023 0.88482 D6 -1.17993 0.00000 -0.00003 -0.00017 -0.00020 -1.18013 D7 0.93057 -0.00000 -0.00005 -0.00018 -0.00023 0.93034 D8 -1.18148 -0.00000 -0.00006 -0.00018 -0.00023 -1.18171 D9 3.03672 0.00000 -0.00003 -0.00017 -0.00020 3.03652 D10 0.91597 0.00000 0.00002 -0.00000 0.00002 0.91599 D11 2.97797 -0.00000 -0.00002 0.00001 -0.00002 2.97795 D12 -1.14367 0.00000 0.00002 -0.00002 0.00000 -1.14367 D13 3.06371 0.00000 0.00001 -0.00002 -0.00001 3.06371 D14 -1.15747 -0.00000 -0.00003 -0.00001 -0.00004 -1.15751 D15 1.00408 0.00000 0.00002 -0.00004 -0.00002 1.00406 D16 -1.22303 0.00000 -0.00001 -0.00002 -0.00003 -1.22306 D17 0.83897 -0.00001 -0.00005 -0.00001 -0.00006 0.83891 D18 3.00052 -0.00000 -0.00000 -0.00004 -0.00004 3.00047 D19 1.06256 0.00000 0.00002 0.00002 0.00004 1.06261 D20 -1.08594 -0.00000 -0.00002 0.00001 -0.00001 -1.08595 D21 -3.07651 -0.00000 -0.00001 0.00001 0.00000 -3.07651 D22 -1.02237 0.00000 0.00003 0.00001 0.00004 -1.02233 D23 3.11231 0.00000 -0.00001 -0.00000 -0.00001 3.11230 D24 1.12174 0.00000 0.00000 -0.00000 -0.00000 1.12174 D25 -3.08992 0.00000 0.00003 0.00001 0.00004 -3.08988 D26 1.04476 -0.00000 -0.00001 -0.00001 -0.00001 1.04475 D27 -0.94581 -0.00000 0.00000 -0.00001 -0.00000 -0.94581 D28 1.20366 -0.00000 -0.00005 -0.00002 -0.00007 1.20359 D29 -0.93733 -0.00001 -0.00007 0.00001 -0.00006 -0.93739 D30 -2.93445 -0.00000 -0.00007 0.00001 -0.00005 -2.93451 D31 -2.97516 0.00000 -0.00003 0.00001 -0.00002 -2.97518 D32 1.16704 0.00000 -0.00005 0.00004 -0.00001 1.16702 D33 -0.83009 0.00001 -0.00005 0.00005 -0.00000 -0.83009 D34 -0.97134 -0.00000 -0.00007 0.00003 -0.00005 -0.97139 D35 -3.11232 -0.00000 -0.00010 0.00006 -0.00004 -3.11236 D36 1.17373 -0.00000 -0.00009 0.00006 -0.00003 1.17370 D37 -0.63029 0.00000 -0.00002 -0.00002 -0.00004 -0.63033 D38 -2.79898 0.00000 0.00004 -0.00005 -0.00001 -2.79899 D39 1.50014 0.00001 0.00005 -0.00006 -0.00001 1.50013 D40 -2.74671 -0.00001 -0.00005 -0.00005 -0.00010 -2.74681 D41 1.36780 -0.00001 0.00001 -0.00009 -0.00008 1.36772 D42 -0.61627 -0.00001 0.00002 -0.00010 -0.00008 -0.61635 D43 1.51473 0.00000 0.00001 -0.00005 -0.00004 1.51469 D44 -0.65395 0.00000 0.00007 -0.00009 -0.00002 -0.65397 D45 -2.63802 0.00001 0.00008 -0.00010 -0.00001 -2.63803 D46 -1.01392 -0.00000 -0.00001 -0.00011 -0.00012 -1.01404 D47 -3.06803 -0.00000 -0.00001 -0.00011 -0.00012 -3.06815 D48 1.16029 -0.00000 -0.00001 -0.00011 -0.00012 1.16017 D49 1.10210 0.00000 0.00002 -0.00007 -0.00005 1.10205 D50 -0.95202 0.00000 0.00002 -0.00007 -0.00005 -0.95207 D51 -3.00688 0.00000 0.00002 -0.00008 -0.00005 -3.00693 D52 -3.11614 -0.00000 0.00002 -0.00010 -0.00008 -3.11623 D53 1.11293 -0.00000 0.00002 -0.00010 -0.00008 1.11285 D54 -0.94193 -0.00000 0.00003 -0.00011 -0.00008 -0.94202 D55 -0.98145 0.00000 0.00014 -0.00009 0.00005 -0.98140 D56 -3.03444 0.00000 0.00013 -0.00007 0.00005 -3.03439 D57 1.20122 0.00000 0.00012 -0.00008 0.00004 1.20126 D58 1.12893 0.00000 0.00015 -0.00011 0.00004 1.12897 D59 -0.92406 0.00000 0.00013 -0.00009 0.00004 -0.92402 D60 -2.97158 0.00000 0.00013 -0.00010 0.00003 -2.97155 D61 -3.09324 -0.00000 0.00016 -0.00013 0.00003 -3.09320 D62 1.13696 0.00000 0.00015 -0.00012 0.00003 1.13700 D63 -0.91057 -0.00000 0.00015 -0.00012 0.00003 -0.91054 D64 -0.99821 0.00000 -0.00019 0.00003 -0.00016 -0.99837 D65 -3.06481 0.00000 -0.00016 0.00001 -0.00014 -3.06495 D66 1.17552 0.00000 -0.00016 0.00000 -0.00016 1.17536 D67 1.12475 -0.00000 -0.00024 0.00005 -0.00019 1.12456 D68 -0.94185 -0.00000 -0.00020 0.00003 -0.00017 -0.94202 D69 -2.98471 -0.00000 -0.00020 0.00002 -0.00018 -2.98490 D70 -3.10831 -0.00000 -0.00026 0.00008 -0.00017 -3.10849 D71 1.10828 -0.00000 -0.00022 0.00006 -0.00016 1.10812 D72 -0.93459 -0.00000 -0.00022 0.00005 -0.00017 -0.93476 Item Value Threshold Converged? Maximum Force 0.000024 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.000786 0.001800 YES RMS Displacement 0.000140 0.001200 YES Predicted change in Energy=-8.145058D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5243 -DE/DX = 0.0 ! ! R2 R(1,3) 1.0817 -DE/DX = 0.0 ! ! R3 R(1,4) 1.0835 -DE/DX = 0.0 ! ! R4 R(1,5) 1.0824 -DE/DX = 0.0 ! ! R5 R(2,6) 1.5125 -DE/DX = 0.0 ! ! R6 R(2,7) 1.0766 -DE/DX = 0.0 ! ! R7 R(2,8) 1.0791 -DE/DX = 0.0 ! ! R8 R(6,9) 1.5216 -DE/DX = 0.0 ! ! R9 R(6,16) 1.5193 -DE/DX = 0.0 ! ! R10 R(6,23) 1.5255 -DE/DX = 0.0 ! ! R11 R(9,10) 1.5233 -DE/DX = 0.0 ! ! R12 R(9,11) 1.0776 -DE/DX = 0.0 ! ! R13 R(9,12) 1.081 -DE/DX = 0.0 ! ! R14 R(10,13) 1.0824 -DE/DX = 0.0 ! ! R15 R(10,14) 1.0838 -DE/DX = 0.0 ! ! R16 R(10,15) 1.0812 -DE/DX = 0.0 ! ! R17 R(16,17) 1.5227 -DE/DX = 0.0 ! ! R18 R(16,18) 1.0776 -DE/DX = 0.0 ! ! R19 R(16,19) 1.0811 -DE/DX = 0.0 ! ! R20 R(17,20) 1.082 -DE/DX = 0.0 ! ! R21 R(17,21) 1.0838 -DE/DX = 0.0 ! ! R22 R(17,22) 1.0806 -DE/DX = 0.0 ! ! R23 R(23,24) 1.5257 -DE/DX = 0.0 ! ! R24 R(23,25) 1.0808 -DE/DX = 0.0 ! ! R25 R(23,26) 1.0788 -DE/DX = 0.0 ! ! R26 R(24,27) 1.0785 -DE/DX = 0.0 ! ! R27 R(24,28) 1.0841 -DE/DX = 0.0 ! ! R28 R(24,29) 1.0811 -DE/DX = 0.0 ! ! A1 A(2,1,3) 112.6209 -DE/DX = 0.0 ! ! A2 A(2,1,4) 107.4869 -DE/DX = 0.0 ! ! A3 A(2,1,5) 113.1386 -DE/DX = 0.0 ! ! A4 A(3,1,4) 107.2567 -DE/DX = 0.0 ! ! A5 A(3,1,5) 108.6351 -DE/DX = 0.0 ! ! A6 A(4,1,5) 107.4046 -DE/DX = 0.0 ! ! A7 A(1,2,6) 115.603 -DE/DX = 0.0 ! ! A8 A(1,2,7) 110.3873 -DE/DX = 0.0 ! ! A9 A(1,2,8) 110.0239 -DE/DX = 0.0 ! ! A10 A(6,2,7) 106.5573 -DE/DX = 0.0 ! ! A11 A(6,2,8) 106.5159 -DE/DX = 0.0 ! ! A12 A(7,2,8) 107.3642 -DE/DX = 0.0 ! ! A13 A(2,6,9) 111.1194 -DE/DX = 0.0 ! ! A14 A(2,6,16) 109.3764 -DE/DX = 0.0 ! ! A15 A(2,6,23) 112.3849 -DE/DX = 0.0 ! ! A16 A(9,6,16) 107.19 -DE/DX = 0.0 ! ! A17 A(9,6,23) 105.5353 -DE/DX = 0.0 ! ! A18 A(16,6,23) 111.0693 -DE/DX = 0.0 ! ! A19 A(6,9,10) 116.7899 -DE/DX = 0.0 ! ! A20 A(6,9,11) 106.3557 -DE/DX = 0.0 ! ! A21 A(6,9,12) 105.6076 -DE/DX = 0.0 ! ! A22 A(10,9,11) 109.9279 -DE/DX = 0.0 ! ! A23 A(10,9,12) 110.1868 -DE/DX = 0.0 ! ! A24 A(11,9,12) 107.5103 -DE/DX = 0.0 ! ! A25 A(9,10,13) 113.0234 -DE/DX = 0.0 ! ! A26 A(9,10,14) 106.8848 -DE/DX = 0.0 ! ! A27 A(9,10,15) 113.206 -DE/DX = 0.0 ! ! A28 A(13,10,14) 107.1975 -DE/DX = 0.0 ! ! A29 A(13,10,15) 109.0196 -DE/DX = 0.0 ! ! A30 A(14,10,15) 107.1481 -DE/DX = 0.0 ! ! A31 A(6,16,17) 117.9032 -DE/DX = 0.0 ! ! A32 A(6,16,18) 105.8867 -DE/DX = 0.0 ! ! A33 A(6,16,19) 105.8064 -DE/DX = 0.0 ! ! A34 A(17,16,18) 109.312 -DE/DX = 0.0 ! ! A35 A(17,16,19) 109.5389 -DE/DX = 0.0 ! ! A36 A(18,16,19) 107.947 -DE/DX = 0.0 ! ! A37 A(16,17,20) 113.3638 -DE/DX = 0.0 ! ! A38 A(16,17,21) 106.5461 -DE/DX = 0.0 ! ! A39 A(16,17,22) 112.8353 -DE/DX = 0.0 ! ! A40 A(20,17,21) 107.1656 -DE/DX = 0.0 ! ! A41 A(20,17,22) 109.3948 -DE/DX = 0.0 ! ! A42 A(21,17,22) 107.1503 -DE/DX = 0.0 ! ! A43 A(6,23,24) 118.156 -DE/DX = 0.0 ! ! A44 A(6,23,25) 105.4446 -DE/DX = 0.0 ! ! A45 A(6,23,26) 106.2319 -DE/DX = 0.0 ! ! A46 A(24,23,25) 110.6527 -DE/DX = 0.0 ! ! A47 A(24,23,26) 108.5117 -DE/DX = 0.0 ! ! A48 A(25,23,26) 107.2916 -DE/DX = 0.0 ! ! A49 A(23,24,27) 114.159 -DE/DX = 0.0 ! ! A50 A(23,24,28) 106.4719 -DE/DX = 0.0 ! ! A51 A(23,24,29) 112.5226 -DE/DX = 0.0 ! ! A52 A(27,24,28) 107.4701 -DE/DX = 0.0 ! ! A53 A(27,24,29) 108.7329 -DE/DX = 0.0 ! ! A54 A(28,24,29) 107.1093 -DE/DX = 0.0 ! ! D1 D(3,1,2,6) -70.3601 -DE/DX = 0.0 ! ! D2 D(3,1,2,7) 168.6287 -DE/DX = 0.0 ! ! D3 D(3,1,2,8) 50.3139 -DE/DX = 0.0 ! ! D4 D(4,1,2,6) 171.7208 -DE/DX = 0.0 ! ! D5 D(4,1,2,7) 50.7096 -DE/DX = 0.0 ! ! D6 D(4,1,2,8) -67.6053 -DE/DX = 0.0 ! ! D7 D(5,1,2,6) 53.3175 -DE/DX = 0.0 ! ! D8 D(5,1,2,7) -67.6938 -DE/DX = 0.0 ! ! D9 D(5,1,2,8) 173.9914 -DE/DX = 0.0 ! ! D10 D(1,2,6,9) 52.4811 -DE/DX = 0.0 ! ! D11 D(1,2,6,16) 170.6251 -DE/DX = 0.0 ! ! D12 D(1,2,6,23) -65.5272 -DE/DX = 0.0 ! ! D13 D(7,2,6,9) 175.5377 -DE/DX = 0.0 ! ! D14 D(7,2,6,16) -66.3183 -DE/DX = 0.0 ! ! D15 D(7,2,6,23) 57.5294 -DE/DX = 0.0 ! ! D16 D(8,2,6,9) -70.0746 -DE/DX = 0.0 ! ! D17 D(8,2,6,16) 48.0694 -DE/DX = 0.0 ! ! D18 D(8,2,6,23) 171.917 -DE/DX = 0.0 ! ! D19 D(2,6,9,10) 60.8803 -DE/DX = 0.0 ! ! D20 D(2,6,9,11) -62.2198 -DE/DX = 0.0 ! ! D21 D(2,6,9,12) -176.271 -DE/DX = 0.0 ! ! D22 D(16,6,9,10) -58.5777 -DE/DX = 0.0 ! ! D23 D(16,6,9,11) 178.3222 -DE/DX = 0.0 ! ! D24 D(16,6,9,12) 64.271 -DE/DX = 0.0 ! ! D25 D(23,6,9,10) -177.0396 -DE/DX = 0.0 ! ! D26 D(23,6,9,11) 59.8603 -DE/DX = 0.0 ! ! D27 D(23,6,9,12) -54.1909 -DE/DX = 0.0 ! ! D28 D(2,6,16,17) 68.9646 -DE/DX = 0.0 ! ! D29 D(2,6,16,18) -53.7048 -DE/DX = 0.0 ! ! D30 D(2,6,16,19) -168.1319 -DE/DX = 0.0 ! ! D31 D(9,6,16,17) -170.4644 -DE/DX = 0.0 ! ! D32 D(9,6,16,18) 66.8662 -DE/DX = 0.0 ! ! D33 D(9,6,16,19) -47.5608 -DE/DX = 0.0 ! ! D34 D(23,6,16,17) -55.6536 -DE/DX = 0.0 ! ! D35 D(23,6,16,18) -178.323 -DE/DX = 0.0 ! ! D36 D(23,6,16,19) 67.2499 -DE/DX = 0.0 ! ! D37 D(2,6,23,24) -36.1131 -DE/DX = 0.0 ! ! D38 D(2,6,23,25) -160.3695 -DE/DX = 0.0 ! ! D39 D(2,6,23,26) 85.9518 -DE/DX = 0.0 ! ! D40 D(9,6,23,24) -157.3746 -DE/DX = 0.0 ! ! D41 D(9,6,23,25) 78.3689 -DE/DX = 0.0 ! ! D42 D(9,6,23,26) -35.3098 -DE/DX = 0.0 ! ! D43 D(16,6,23,24) 86.7879 -DE/DX = 0.0 ! ! D44 D(16,6,23,25) -37.4686 -DE/DX = 0.0 ! ! D45 D(16,6,23,26) -151.1473 -DE/DX = 0.0 ! ! D46 D(6,9,10,13) -58.0934 -DE/DX = 0.0 ! ! D47 D(6,9,10,14) -175.7854 -DE/DX = 0.0 ! ! D48 D(6,9,10,15) 66.4797 -DE/DX = 0.0 ! ! D49 D(11,9,10,13) 63.1454 -DE/DX = 0.0 ! ! D50 D(11,9,10,14) -54.5466 -DE/DX = 0.0 ! ! D51 D(11,9,10,15) -172.2815 -DE/DX = 0.0 ! ! D52 D(12,9,10,13) -178.5419 -DE/DX = 0.0 ! ! D53 D(12,9,10,14) 63.7661 -DE/DX = 0.0 ! ! D54 D(12,9,10,15) -53.9689 -DE/DX = 0.0 ! ! D55 D(6,16,17,20) -56.2331 -DE/DX = 0.0 ! ! D56 D(6,16,17,21) -173.8606 -DE/DX = 0.0 ! ! D57 D(6,16,17,22) 68.8247 -DE/DX = 0.0 ! ! D58 D(18,16,17,20) 64.683 -DE/DX = 0.0 ! ! D59 D(18,16,17,21) -52.9445 -DE/DX = 0.0 ! ! D60 D(18,16,17,22) -170.2592 -DE/DX = 0.0 ! ! D61 D(19,16,17,20) -177.2293 -DE/DX = 0.0 ! ! D62 D(19,16,17,21) 65.1432 -DE/DX = 0.0 ! ! D63 D(19,16,17,22) -52.1715 -DE/DX = 0.0 ! ! D64 D(6,23,24,27) -57.1931 -DE/DX = 0.0 ! ! D65 D(6,23,24,28) -175.6004 -DE/DX = 0.0 ! ! D66 D(6,23,24,29) 67.3521 -DE/DX = 0.0 ! ! D67 D(25,23,24,27) 64.4434 -DE/DX = 0.0 ! ! D68 D(25,23,24,28) -53.964 -DE/DX = 0.0 ! ! D69 D(25,23,24,29) -171.0114 -DE/DX = 0.0 ! ! D70 D(26,23,24,27) -178.0931 -DE/DX = 0.0 ! ! D71 D(26,23,24,28) 63.4995 -DE/DX = 0.0 ! ! D72 D(26,23,24,29) -53.5479 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -5.121867 3.344906 1.022160 2 6 0 -3.997878 2.321591 1.135912 3 1 0 -4.761610 4.331658 0.764061 4 1 0 -5.594086 3.419287 1.994507 5 1 0 -5.886847 3.059237 0.311738 6 7 0 -3.337854 1.928178 -0.166834 7 1 0 -4.362424 1.412104 1.582073 8 1 0 -3.214997 2.701991 1.773844 9 6 0 -2.878552 3.154923 -0.941123 10 6 0 -1.850887 4.050693 -0.261549 11 1 0 -3.766991 3.721201 -1.167280 12 1 0 -2.485870 2.778916 -1.875492 13 1 0 -2.188188 4.433254 0.693165 14 1 0 -1.697364 4.903585 -0.912362 15 1 0 -0.889936 3.572967 -0.130085 16 6 0 -2.102630 1.093502 0.125853 17 6 0 -2.305344 -0.302433 0.699237 18 1 0 -1.507761 1.676638 0.809458 19 1 0 -1.564715 1.025601 -0.809430 20 1 0 -2.881031 -0.310582 1.615345 21 1 0 -1.319463 -0.684376 0.937578 22 1 0 -2.749295 -0.986554 -0.009637 23 6 0 -4.290778 1.188676 -1.100784 24 6 0 -5.311465 0.238025 -0.482573 25 1 0 -3.657273 0.664249 -1.802050 26 1 0 -4.821075 1.948199 -1.653648 27 1 0 -4.877779 -0.543365 0.121253 28 1 0 -5.828089 -0.237693 -1.308453 29 1 0 -6.057852 0.755920 0.103516 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524291 0.000000 3 H 1.081702 2.182184 0.000000 4 H 1.083504 2.118962 1.743398 0.000000 5 H 1.082359 2.188970 1.757785 1.745582 0.000000 6 N 2.569733 1.512465 2.944548 3.461991 2.829433 7 H 2.150809 1.076624 3.058151 2.390790 2.578888 8 H 2.148143 1.079149 2.463226 2.494648 3.066620 9 C 2.987145 2.502280 2.799690 4.007734 3.260161 10 C 3.584041 3.090672 3.098891 4.415880 4.195308 11 H 2.602102 2.704978 2.256547 3.664195 2.668235 12 H 3.957931 3.400569 3.815395 5.004796 4.053295 13 H 3.146301 2.816047 2.576402 3.784410 3.964023 14 H 4.230730 4.019264 3.539364 5.083057 4.738333 15 H 4.391915 3.581618 4.045363 5.163965 5.042642 16 C 3.871431 2.473942 4.238294 4.592539 4.268368 17 C 4.619542 3.152913 5.245212 5.132714 4.927286 18 H 3.986241 2.592917 4.199848 4.597741 4.619058 19 H 4.624633 3.374053 4.860661 5.461468 4.906478 20 H 4.328488 2.899231 5.080517 4.627781 4.700000 21 H 5.540806 4.031014 6.085973 6.019098 5.938628 22 H 5.045319 3.716862 5.738588 5.614344 5.129907 23 C 3.137982 2.524302 3.684789 4.031757 2.835781 24 C 3.457294 2.947246 4.314426 4.041810 2.986844 25 H 4.160183 3.390341 4.610247 5.074970 3.895519 26 H 3.033351 2.932357 3.395546 4.008826 2.496601 27 H 3.998732 3.164132 4.918591 4.441259 3.746097 28 H 4.331919 3.984285 5.129489 4.933336 3.673992 29 H 2.902210 2.785797 3.860371 3.299159 2.319023 6 7 8 9 10 6 N 0.000000 7 H 2.091590 0.000000 8 H 2.092871 1.737001 0.000000 9 C 1.521639 3.406730 2.772974 0.000000 10 C 2.593282 4.082757 2.796894 1.523260 0.000000 11 H 2.097613 3.639424 3.161280 1.077562 2.144847 12 H 2.090250 4.164659 3.722257 1.081030 2.150682 13 H 2.887340 3.826853 2.284617 2.186693 1.082406 14 H 3.478515 5.051256 3.790241 2.110415 1.083768 15 H 2.949403 4.433845 3.128810 2.187953 1.081171 16 C 1.519252 2.707167 2.557435 2.447438 2.993064 17 C 2.606105 2.819684 3.317954 3.869453 4.480999 18 H 2.089415 2.969177 2.212701 2.670005 2.626961 19 H 2.090837 3.700790 3.493855 2.505499 3.087596 20 H 2.897739 2.272285 3.035169 4.306421 4.858461 21 H 3.481244 3.751028 3.969870 4.549779 4.913369 22 H 2.977713 3.299892 4.123475 4.246906 5.122934 23 C 1.525514 2.693098 3.422121 2.426109 3.853379 24 C 2.617528 2.557715 3.944328 3.825916 5.153726 25 H 2.091286 3.536780 4.139446 2.747919 4.135720 26 H 2.100229 3.311744 3.859454 2.395260 3.896208 27 H 2.926241 2.494683 4.003527 4.336229 5.514887 28 H 3.492215 3.636639 4.997053 4.510493 5.941750 29 H 2.974167 2.343328 3.828709 4.117576 5.356058 11 12 13 14 15 11 H 0.000000 12 H 1.740901 0.000000 13 H 2.541828 3.069763 0.000000 14 H 2.397159 2.462434 1.743512 0.000000 15 H 3.061893 2.494788 1.761616 1.741965 0.000000 16 C 3.368544 2.644404 3.388673 3.969744 2.771981 17 C 4.670110 4.019520 4.737140 5.483568 4.208311 18 H 3.632058 3.062787 2.841731 3.662485 2.204657 19 H 3.499190 2.249251 3.776057 3.881617 2.721380 20 H 4.978272 4.678364 4.882051 5.914212 4.700312 21 H 5.461677 4.611752 5.196590 5.898338 4.410144 22 H 4.953665 4.210650 5.493913 6.051050 4.925541 23 C 2.586978 2.527198 4.262209 4.534518 4.265305 24 C 3.871271 4.047264 5.360706 5.917254 5.549415 25 H 3.124088 2.418553 4.752862 4.754446 4.349053 26 H 2.119241 2.488471 4.314524 4.363643 4.518292 27 H 4.591371 4.554753 5.685746 6.391609 5.736745 28 H 4.465523 4.537830 6.250847 6.607005 6.347837 29 H 3.956748 4.557197 5.370732 6.103195 5.890473 16 17 18 19 20 16 C 0.000000 17 C 1.522662 0.000000 18 H 1.077605 2.136589 0.000000 19 H 1.081072 2.142028 1.745821 0.000000 20 H 2.189965 1.082005 2.546442 3.065552 0.000000 21 H 2.105492 1.083811 2.371974 2.456869 1.742866 22 H 2.182468 1.080563 3.050396 2.468130 1.764896 23 C 2.510316 3.066828 3.410618 2.746435 3.407715 24 C 3.376188 3.274987 4.266980 3.842558 3.257183 25 H 2.513560 3.003103 3.530624 2.344071 3.637504 26 H 3.359624 4.114647 4.137473 3.488233 4.421784 27 H 3.221926 2.647553 4.093783 3.782092 2.504696 28 H 4.208130 4.055212 5.178363 4.474517 4.151994 29 H 3.969665 3.944149 4.695679 4.592873 3.676309 21 22 23 24 25 21 H 0.000000 22 H 1.741535 0.000000 23 C 4.061029 2.880694 0.000000 24 C 4.336327 2.878885 1.525688 0.000000 25 H 3.845739 2.600446 1.080798 2.158480 0.000000 26 H 5.089812 3.950673 1.078771 2.129928 1.739248 27 H 3.653475 2.178071 2.199525 1.078545 2.578190 28 H 5.056865 3.424426 2.107363 1.084105 2.401995 29 H 5.022195 3.741066 2.181781 1.081115 3.066328 26 27 28 29 26 H 0.000000 27 H 3.059637 0.000000 28 H 2.431329 1.743727 0.000000 29 H 2.457392 1.755286 1.741756 0.000000 Stoichiometry C8H20N(1+) Framework group C1[X(C8H20N)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.809336 2.102405 -0.878897 2 6 0 -0.224867 0.709011 -1.079676 3 1 0 -1.861108 2.080103 -0.627186 4 1 0 -0.714902 2.633577 -1.818536 5 1 0 -0.285938 2.678894 -0.127089 6 7 0 -0.084104 -0.127374 0.172601 7 1 0 0.756603 0.773491 -1.517489 8 1 0 -0.843855 0.142984 -1.758666 9 6 0 -1.397900 -0.195004 0.937291 10 6 0 -2.584411 -0.814513 0.210160 11 1 0 -1.632249 0.815830 1.227871 12 1 0 -1.181369 -0.750718 1.838913 13 1 0 -2.825698 -0.307298 -0.715105 14 1 0 -3.442449 -0.713037 0.864398 15 1 0 -2.458384 -1.869692 0.011047 16 6 0 0.286188 -1.550134 -0.210497 17 6 0 1.671593 -1.793473 -0.793539 18 1 0 -0.459941 -1.868282 -0.919938 19 1 0 0.163674 -2.138442 0.688170 20 1 0 1.878342 -1.196562 -1.671996 21 1 0 1.699601 -2.832897 -1.099249 22 1 0 2.461709 -1.652747 -0.069986 23 6 0 0.928761 0.458253 1.151549 24 6 0 2.171337 1.136206 0.582242 25 1 0 1.204931 -0.358695 1.803048 26 1 0 0.389927 1.176831 1.749086 27 1 0 2.763627 0.504276 -0.060499 28 1 0 2.789202 1.407924 1.430592 29 1 0 1.938815 2.049566 0.052604 --------------------------------------------------------------------- Rotational constants (GHZ): 1.6950405 1.3480022 1.0333234 ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -15.84820 -11.44019 -11.43941 -11.43929 -11.43737 Alpha occ. eigenvalues -- -11.37333 -11.37286 -11.37241 -11.37142 -1.48210 Alpha occ. eigenvalues -- -1.21300 -1.21248 -1.20508 -1.14732 -1.06443 Alpha occ. eigenvalues -- -1.03308 -1.01516 -0.94931 -0.87351 -0.85283 Alpha occ. eigenvalues -- -0.81980 -0.80464 -0.76445 -0.75383 -0.74747 Alpha occ. eigenvalues -- -0.72492 -0.71530 -0.69784 -0.69753 -0.69249 Alpha occ. eigenvalues -- -0.68121 -0.67275 -0.66427 -0.65945 -0.65279 Alpha occ. eigenvalues -- -0.64931 -0.64163 Alpha virt. eigenvalues -- 0.05187 0.08204 0.09048 0.09311 0.10929 Alpha virt. eigenvalues -- 0.11897 0.12221 0.14330 0.15331 0.15520 Alpha virt. eigenvalues -- 0.16123 0.16725 0.17664 0.18183 0.18809 Alpha virt. eigenvalues -- 0.19432 0.20007 0.20791 0.21546 0.22006 Alpha virt. eigenvalues -- 0.24307 0.24596 0.25086 0.26084 0.27147 Alpha virt. eigenvalues -- 0.28694 0.29363 0.31623 0.51030 0.51462 Alpha virt. eigenvalues -- 0.52828 0.54404 0.55842 0.59507 0.61892 Alpha virt. eigenvalues -- 0.62455 0.65317 0.67268 0.68734 0.71326 Alpha virt. eigenvalues -- 0.72834 0.73706 0.75596 0.77707 0.79443 Alpha virt. eigenvalues -- 0.80392 0.84965 0.86121 0.87969 0.93242 Alpha virt. eigenvalues -- 0.96313 0.97138 0.97833 1.00298 1.00674 Alpha virt. eigenvalues -- 1.01136 1.01577 1.02027 1.02765 1.03111 Alpha virt. eigenvalues -- 1.03377 1.03897 1.05342 1.07155 1.08625 Alpha virt. eigenvalues -- 1.09102 1.11348 1.12087 1.12697 1.13323 Alpha virt. eigenvalues -- 1.14325 1.16152 1.16861 1.18366 1.18576 Alpha virt. eigenvalues -- 1.21427 1.32183 1.36168 1.43565 1.44266 Alpha virt. eigenvalues -- 1.45277 1.56312 1.64882 1.67527 1.69421 Alpha virt. eigenvalues -- 1.70458 1.77658 1.79034 1.81728 1.87785 Alpha virt. eigenvalues -- 1.89989 1.96375 2.00300 2.01898 2.05350 Alpha virt. eigenvalues -- 2.08574 2.09478 2.10365 2.12102 2.13857 Alpha virt. eigenvalues -- 2.14292 2.14847 2.19252 2.23338 2.27330 Alpha virt. eigenvalues -- 2.29583 2.31938 2.34929 2.41359 2.44527 Alpha virt. eigenvalues -- 2.48324 2.49535 2.51181 2.51911 2.53380 Alpha virt. eigenvalues -- 2.54678 2.55707 2.56951 2.58121 2.59083 Alpha virt. eigenvalues -- 2.62406 2.65515 2.77488 2.79349 2.86501 Alpha virt. eigenvalues -- 2.94045 2.96885 2.99084 3.00181 4.32237 Alpha virt. eigenvalues -- 4.47909 4.48620 4.50029 4.57173 4.68068 Alpha virt. eigenvalues -- 4.71856 4.74711 4.80163 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.142950 0.320931 0.394436 0.396245 0.392798 -0.042700 2 C 0.320931 5.120414 -0.035306 -0.033239 -0.036814 0.158300 3 H 0.394436 -0.035306 0.487492 -0.021258 -0.025161 -0.001366 4 H 0.396245 -0.033239 -0.021258 0.448653 -0.019774 0.002963 5 H 0.392798 -0.036814 -0.025161 -0.019774 0.491625 -0.001924 6 N -0.042700 0.158300 -0.001366 0.002963 -0.001924 7.401680 7 H -0.033128 0.410509 0.003029 -0.003060 -0.001636 -0.035531 8 H -0.034344 0.408698 -0.003309 -0.001238 0.003049 -0.037561 9 C -0.002922 -0.044722 -0.000768 0.000164 -0.001067 0.180963 10 C -0.002166 -0.001104 -0.000163 -0.000008 0.000099 -0.040283 11 H 0.000275 -0.004904 -0.002052 0.000124 -0.000148 -0.036408 12 H -0.000010 0.003503 0.000124 0.000000 -0.000038 -0.038518 13 H -0.000350 0.000071 0.001227 0.000014 -0.000027 -0.002135 14 H 0.000033 -0.000032 0.000022 -0.000000 0.000001 0.002969 15 H 0.000063 -0.000181 -0.000010 0.000000 -0.000002 -0.001359 16 C 0.002817 -0.051810 -0.000145 -0.000052 -0.000082 0.169618 17 C 0.000031 -0.002292 -0.000001 0.000002 -0.000001 -0.036217 18 H -0.000090 -0.003980 0.000012 -0.000002 -0.000001 -0.038150 19 H -0.000077 0.003805 0.000000 0.000001 0.000003 -0.040865 20 H 0.000062 0.000535 -0.000001 0.000003 0.000003 -0.002031 21 H 0.000001 -0.000026 0.000000 -0.000000 -0.000000 0.003036 22 H -0.000009 0.000082 0.000000 0.000000 -0.000000 -0.001677 23 C 0.001030 -0.040055 -0.000169 -0.000120 0.001081 0.151543 24 C -0.003649 -0.003641 0.000108 0.000115 -0.001128 -0.032643 25 H 0.000001 0.002911 -0.000005 0.000001 0.000084 -0.039827 26 H 0.000819 -0.002024 -0.000095 -0.000006 -0.000772 -0.037972 27 H 0.000242 -0.001716 -0.000004 -0.000001 -0.000015 -0.000331 28 H 0.000003 0.000205 -0.000000 -0.000001 0.000044 0.002820 29 H -0.001018 -0.000670 0.000031 0.000067 0.001269 -0.001845 7 8 9 10 11 12 1 C -0.033128 -0.034344 -0.002922 -0.002166 0.000275 -0.000010 2 C 0.410509 0.408698 -0.044722 -0.001104 -0.004904 0.003503 3 H 0.003029 -0.003309 -0.000768 -0.000163 -0.002052 0.000124 4 H -0.003060 -0.001238 0.000164 -0.000008 0.000124 0.000000 5 H -0.001636 0.003049 -0.001067 0.000099 -0.000148 -0.000038 6 N -0.035531 -0.037561 0.180963 -0.040283 -0.036408 -0.038518 7 H 0.453878 -0.024671 0.003226 0.000035 -0.000103 -0.000057 8 H -0.024671 0.459619 -0.004000 0.000938 0.000103 -0.000099 9 C 0.003226 -0.004000 5.136530 0.318683 0.410054 0.408754 10 C 0.000035 0.000938 0.318683 5.140565 -0.033340 -0.034430 11 H -0.000103 0.000103 0.410054 -0.033340 0.454138 -0.022969 12 H -0.000057 -0.000099 0.408754 -0.034430 -0.022969 0.457679 13 H 0.000109 -0.000923 -0.036754 0.393028 -0.001759 0.002994 14 H 0.000001 0.000029 -0.032749 0.395587 -0.002990 -0.001797 15 H -0.000013 -0.000196 -0.035843 0.394941 0.002949 -0.002369 16 C -0.002895 -0.002785 -0.054420 -0.003939 0.003849 -0.005424 17 C 0.000877 -0.000263 0.002803 0.000117 -0.000065 -0.000137 18 H -0.000110 0.002206 -0.005432 -0.000436 -0.000092 0.000129 19 H -0.000079 0.000092 -0.001987 -0.001503 0.000166 0.002302 20 H 0.000037 0.000156 -0.000073 -0.000009 0.000003 -0.000001 21 H 0.000018 -0.000030 -0.000057 0.000006 0.000001 -0.000003 22 H -0.000046 0.000003 -0.000126 -0.000002 -0.000001 0.000003 23 C -0.005649 0.003176 -0.057811 0.003488 -0.005987 -0.002636 24 C -0.000606 0.000056 0.002878 -0.000069 -0.000038 0.000136 25 H -0.000057 -0.000056 -0.003175 -0.000159 0.000159 0.001612 26 H 0.000119 -0.000121 -0.002698 0.000340 0.001323 -0.001641 27 H -0.000358 -0.000039 -0.000076 0.000002 -0.000002 -0.000002 28 H 0.000146 0.000001 -0.000064 0.000001 -0.000003 -0.000004 29 H -0.001982 0.000103 -0.000158 -0.000000 0.000023 0.000001 13 14 15 16 17 18 1 C -0.000350 0.000033 0.000063 0.002817 0.000031 -0.000090 2 C 0.000071 -0.000032 -0.000181 -0.051810 -0.002292 -0.003980 3 H 0.001227 0.000022 -0.000010 -0.000145 -0.000001 0.000012 4 H 0.000014 -0.000000 0.000000 -0.000052 0.000002 -0.000002 5 H -0.000027 0.000001 -0.000002 -0.000082 -0.000001 -0.000001 6 N -0.002135 0.002969 -0.001359 0.169618 -0.036217 -0.038150 7 H 0.000109 0.000001 -0.000013 -0.002895 0.000877 -0.000110 8 H -0.000923 0.000029 -0.000196 -0.002785 -0.000263 0.002206 9 C -0.036754 -0.032749 -0.035843 -0.054420 0.002803 -0.005432 10 C 0.393028 0.395587 0.394941 -0.003939 0.000117 -0.000436 11 H -0.001759 -0.002990 0.002949 0.003849 -0.000065 -0.000092 12 H 0.002994 -0.001797 -0.002369 -0.005424 -0.000137 0.000129 13 H 0.489052 -0.020619 -0.023584 -0.000563 -0.000027 -0.000168 14 H -0.020619 0.450069 -0.021289 0.000110 0.000000 0.000131 15 H -0.023584 -0.021289 0.482552 -0.000090 0.000138 -0.001699 16 C -0.000563 0.000110 -0.000090 5.119910 0.320880 0.410577 17 C -0.000027 0.000000 0.000138 0.320880 5.133874 -0.035308 18 H -0.000168 0.000131 -0.001699 0.410577 -0.035308 0.459997 19 H 0.000056 -0.000037 0.000217 0.408290 -0.034607 -0.022208 20 H -0.000001 -0.000000 0.000002 -0.036976 0.393881 -0.001603 21 H 0.000000 -0.000000 0.000005 -0.033338 0.395945 -0.003566 22 H 0.000000 0.000000 -0.000003 -0.036287 0.395284 0.003218 23 C -0.000102 -0.000053 -0.000150 -0.037208 -0.003427 0.003577 24 C 0.000002 0.000001 0.000001 -0.000381 -0.003750 -0.000168 25 H -0.000001 0.000001 0.000008 -0.001625 -0.001484 0.000174 26 H 0.000000 -0.000015 -0.000002 0.002634 0.000064 -0.000090 27 H -0.000000 -0.000000 -0.000000 -0.000318 -0.002087 -0.000012 28 H -0.000000 -0.000000 -0.000000 -0.000078 0.000087 0.000003 29 H -0.000001 -0.000000 0.000000 0.000136 0.000008 0.000005 19 20 21 22 23 24 1 C -0.000077 0.000062 0.000001 -0.000009 0.001030 -0.003649 2 C 0.003805 0.000535 -0.000026 0.000082 -0.040055 -0.003641 3 H 0.000000 -0.000001 0.000000 0.000000 -0.000169 0.000108 4 H 0.000001 0.000003 -0.000000 0.000000 -0.000120 0.000115 5 H 0.000003 0.000003 -0.000000 -0.000000 0.001081 -0.001128 6 N -0.040865 -0.002031 0.003036 -0.001677 0.151543 -0.032643 7 H -0.000079 0.000037 0.000018 -0.000046 -0.005649 -0.000606 8 H 0.000092 0.000156 -0.000030 0.000003 0.003176 0.000056 9 C -0.001987 -0.000073 -0.000057 -0.000126 -0.057811 0.002878 10 C -0.001503 -0.000009 0.000006 -0.000002 0.003488 -0.000069 11 H 0.000166 0.000003 0.000001 -0.000001 -0.005987 -0.000038 12 H 0.002302 -0.000001 -0.000003 0.000003 -0.002636 0.000136 13 H 0.000056 -0.000001 0.000000 0.000000 -0.000102 0.000002 14 H -0.000037 -0.000000 -0.000000 0.000000 -0.000053 0.000001 15 H 0.000217 0.000002 0.000005 -0.000003 -0.000150 0.000001 16 C 0.408290 -0.036976 -0.033338 -0.036287 -0.037208 -0.000381 17 C -0.034607 0.393881 0.395945 0.395284 -0.003427 -0.003750 18 H -0.022208 -0.001603 -0.003566 0.003218 0.003577 -0.000168 19 H 0.461256 0.003079 -0.001835 -0.002826 -0.003638 0.000099 20 H 0.003079 0.488854 -0.020986 -0.024178 -0.000247 -0.000630 21 H -0.001835 -0.020986 0.453721 -0.022382 -0.000102 0.000184 22 H -0.002826 -0.024178 -0.022382 0.488481 0.001763 -0.003714 23 C -0.003638 -0.000247 -0.000102 0.001763 5.123813 0.320033 24 C 0.000099 -0.000630 0.000184 -0.003714 0.320033 5.143729 25 H 0.001498 0.000074 -0.000060 0.000415 0.407130 -0.030703 26 H -0.000125 -0.000022 0.000003 0.000030 0.411084 -0.038085 27 H 0.000007 -0.000605 0.000265 -0.000838 -0.036188 0.395003 28 H 0.000001 0.000011 -0.000003 0.000141 -0.033070 0.394336 29 H -0.000002 -0.000003 -0.000004 0.000099 -0.036779 0.395178 25 26 27 28 29 1 C 0.000001 0.000819 0.000242 0.000003 -0.001018 2 C 0.002911 -0.002024 -0.001716 0.000205 -0.000670 3 H -0.000005 -0.000095 -0.000004 -0.000000 0.000031 4 H 0.000001 -0.000006 -0.000001 -0.000001 0.000067 5 H 0.000084 -0.000772 -0.000015 0.000044 0.001269 6 N -0.039827 -0.037972 -0.000331 0.002820 -0.001845 7 H -0.000057 0.000119 -0.000358 0.000146 -0.001982 8 H -0.000056 -0.000121 -0.000039 0.000001 0.000103 9 C -0.003175 -0.002698 -0.000076 -0.000064 -0.000158 10 C -0.000159 0.000340 0.000002 0.000001 -0.000000 11 H 0.000159 0.001323 -0.000002 -0.000003 0.000023 12 H 0.001612 -0.001641 -0.000002 -0.000004 0.000001 13 H -0.000001 0.000000 -0.000000 -0.000000 -0.000001 14 H 0.000001 -0.000015 -0.000000 -0.000000 -0.000000 15 H 0.000008 -0.000002 -0.000000 -0.000000 0.000000 16 C -0.001625 0.002634 -0.000318 -0.000078 0.000136 17 C -0.001484 0.000064 -0.002087 0.000087 0.000008 18 H 0.000174 -0.000090 -0.000012 0.000003 0.000005 19 H 0.001498 -0.000125 0.000007 0.000001 -0.000002 20 H 0.000074 -0.000022 -0.000605 0.000011 -0.000003 21 H -0.000060 0.000003 0.000265 -0.000003 -0.000004 22 H 0.000415 0.000030 -0.000838 0.000141 0.000099 23 C 0.407130 0.411084 -0.036188 -0.033070 -0.036779 24 C -0.030703 -0.038085 0.395003 0.394336 0.395178 25 H 0.458489 -0.024341 -0.001587 -0.002912 0.003038 26 H -0.024341 0.461545 0.003094 -0.001750 -0.003129 27 H -0.001587 0.003094 0.481719 -0.019792 -0.024595 28 H -0.002912 -0.001750 -0.019792 0.452760 -0.021499 29 H 0.003038 -0.003129 -0.024595 -0.021499 0.489151 Mulliken atomic charges: 1 1 C -0.532275 2 C -0.167448 3 H 0.203329 4 H 0.230405 5 H 0.198534 6 N -0.604549 7 H 0.237999 8 H 0.231407 9 C -0.179153 10 C -0.530219 11 H 0.237691 12 H 0.232896 13 H 0.200460 14 H 0.230627 15 H 0.205913 16 C -0.170405 17 C -0.524324 18 H 0.233086 19 H 0.228918 20 H 0.200664 21 H 0.229203 22 H 0.202571 23 C -0.164330 24 C -0.532654 25 H 0.230395 26 H 0.231832 27 H 0.208236 28 H 0.228619 29 H 0.202573 Sum of Mulliken atomic charges = 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.099992 2 C 0.301958 6 N -0.604549 9 C 0.291435 10 C 0.106780 16 C 0.291598 17 C 0.108114 23 C 0.297897 24 C 0.106775 Sum of Mulliken charges with hydrogens summed into heavy atoms = 1.00000 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 33473134 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 PRISM was handed 33252702 working-precision words and 2852 shell-pairs IPart= 0 NShTot= 2852 NBatch= 39 AvBLen= 73.1 Electronic moments (au): -74.00000000 -0.10234984 -0.15405555 0.20082047 -662.11884887 -497.56141865 -253.83084750 0.01221658 0.04017046 -0.10059803 274.10066827 -108.04422070 -7.92227927 -211.69311498 235.42766700 -220.36348016 -54.67168804 -117.69517268 389.73179417 -409.32228609 -14062.34878146 -7885.15067234 -2169.28308729 -2001.48675244 264.10910846 1581.30002367 282.86773997 -65.40612552 97.17272337 -4042.11506293 -1837.74842452 -1655.35803538 -605.60870327 -37.37342224 219.78798333 Electronic spatial extent (au): = 1413.5111 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 75.00000000 -0.00000000 0.00000000 -0.00000000 627.00208327 461.27486915 215.55051539 0.00000000 -0.00000000 -0.00000000 -281.86232700 101.29001791 10.37813102 215.23220574 -237.82698154 229.04393984 55.33865304 121.13459276 -395.30163845 414.95696758 11903.55869687 6260.17710004 1336.90069418 2026.26281941 -278.08478082 -1605.30776696 -279.55304822 74.35828318 -112.68678426 3397.41999581 1344.91743880 1256.90338912 618.30269968 38.93693326 -217.68277149 Total moments (au): 1.00000000 -0.10234984 -0.15405555 0.20082047 -35.11676559 -36.28654950 -38.28033210 0.01221658 0.04017046 -0.10059803 -7.76165873 -6.75420279 2.45585175 3.53909076 -2.39931454 8.68045968 0.66696499 3.43942008 -5.56984428 5.63468149 -2158.79008459 -1624.97357230 -832.38239311 24.77606697 -13.97567236 -24.00774329 3.31469175 8.95215766 -15.51406089 -644.69506712 -492.83098572 -398.45464626 12.69399641 1.56351102 2.10521184 Traceless Quadrup. (au): 1.44445014 0.27466623 -1.71911637 0.01221658 0.04017046 -0.10059803 Charge= 1.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.2601 Y= -0.3916 Z= 0.5104 Tot= 0.6939 Quadrupole moment (field-independent basis, Debye-Ang): XX= -47.2332 YY= -48.8066 ZZ= -51.4884 XY= 0.0164 XZ= 0.0540 YZ= -0.1353 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.9428 YY= 0.3694 ZZ= -2.3123 XY= 0.0164 XZ= 0.0540 YZ= -0.1353 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -5.5244 YYY= -4.8074 ZZZ= 1.7480 XYY= 2.5190 XXY= -1.7077 XXZ= 6.1784 XZZ= 0.4747 YZZ= 2.4480 YYZ= -3.9644 XYZ= 4.0105 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -813.1038 YYYY= -612.0429 ZZZZ= -313.5151 XXXY= 9.3319 XXXZ= -5.2639 YYYX= -9.0425 YYYZ= 1.2485 ZZZX= 3.3718 ZZZY= -5.8433 XXYY= -242.8231 XXZZ= -185.6238 YYZZ= -150.0771 XXYZ= 4.7812 YYXZ= 0.5889 ZZXY= 0.7929 N-N= 5.400222892084D+02 E-N=-1.923912322099D+03 KE= 3.685948714230D+02 Entering OneElI... OneElI was handed 33410984 working-precision words. Calculate electrostatic properties NBasis = 175 MinDer = 0 MaxDer = 0 NGrid = 29 NMatD = 1 Requested accuracy = 0.1000D-12 PrsmSu: NPrtUS= 8 ThrOK=T IAlg=1 PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs PRISM was handed 4080842 working-precision words and 2733 shell-pairs IPart= 0 NShTot= 10324 NBatch= 356 AvBLen= 29.0 IPart= 4 NShTot= 9744 NBatch= 336 AvBLen= 29.0 IPart= 7 NShTot= 9454 NBatch= 326 AvBLen= 29.0 IPart= 5 NShTot= 9686 NBatch= 334 AvBLen= 29.0 IPart= 3 NShTot= 10092 NBatch= 348 AvBLen= 29.0 IPart= 6 NShTot= 9599 NBatch= 331 AvBLen= 29.0 IPart= 2 NShTot= 10150 NBatch= 350 AvBLen= 29.0 IPart= 1 NShTot= 10208 NBatch= 352 AvBLen= 29.0 -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.032560 -0.092312 0.059752 2 Atom 0.221121 0.036736 -0.257858 3 Atom -0.285943 0.149647 0.136297 4 Atom 0.155860 0.039886 -0.195747 5 Atom 0.045213 0.024529 -0.069742 6 Atom 0.002885 -0.000919 -0.001967 7 Atom -0.233347 0.155967 0.077380 8 Atom 0.010175 0.018116 -0.028292 9 Atom -0.228969 0.227453 0.001516 10 Atom -0.057986 0.033232 0.024755 11 Atom 0.123508 -0.254272 0.130763 12 Atom 0.118489 0.040949 -0.159438 13 Atom 0.133250 0.052837 -0.186087 14 Atom -0.137386 0.154887 -0.017501 15 Atom 0.144102 -0.290087 0.145985 16 Atom 0.195039 -0.383212 0.188173 17 Atom -0.083475 0.054932 0.028543 18 Atom -0.068536 0.105788 -0.037252 19 Atom 0.155972 0.010987 -0.166959 20 Atom 0.136915 0.010712 -0.147627 21 Atom 0.147324 -0.271056 0.123732 22 Atom -0.094506 0.153037 -0.058531 23 Atom -0.026590 0.139232 -0.112642 24 Atom -0.071737 0.022479 0.049258 25 Atom 0.123753 -0.115444 -0.008308 26 Atom 0.023763 -0.043992 0.020230 27 Atom 0.018647 -0.011807 -0.006840 28 Atom 0.002603 0.130759 -0.133362 29 Atom 0.126144 -0.174389 0.048246 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.059980 -0.000755 -0.019320 2 Atom 0.036010 -0.043203 0.271081 3 Atom -0.013508 0.110417 0.004175 4 Atom -0.014945 0.039244 0.195079 5 Atom -0.115201 -0.164933 -0.172561 6 Atom -0.005584 -0.010918 -0.000605 7 Atom -0.019148 0.169542 0.022748 8 Atom -0.143357 -0.170266 -0.141780 9 Atom -0.014572 0.298097 0.005309 10 Atom -0.058899 -0.066565 -0.024490 11 Atom 0.087131 0.035034 -0.115745 12 Atom 0.051160 -0.072655 0.200560 13 Atom 0.040800 -0.087981 0.192106 14 Atom 0.031134 0.219179 -0.032271 15 Atom 0.058793 0.007162 -0.087068 16 Atom 0.105184 0.034058 -0.130864 17 Atom 0.042422 0.065062 -0.009955 18 Atom -0.084035 -0.215239 -0.093151 19 Atom -0.020204 0.049947 0.198800 20 Atom -0.043987 0.073038 0.215626 21 Atom 0.008657 0.007866 -0.126706 22 Atom -0.046499 -0.228261 -0.047352 23 Atom -0.151990 -0.284181 -0.155745 24 Atom -0.077935 0.048032 0.031295 25 Atom 0.078327 -0.080620 0.205440 26 Atom 0.151393 0.119272 -0.176803 27 Atom 0.148739 0.157677 -0.170577 28 Atom -0.071342 -0.202684 -0.087921 29 Atom 0.088246 -0.051197 0.198614 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.1182 -15.862 -5.660 -5.291 -0.3674 0.9248 0.0988 1 C(13) Bbb 0.0509 6.826 2.436 2.277 0.7687 0.2421 0.5920 Bcc 0.0673 9.036 3.224 3.014 -0.5236 -0.2935 0.7998 Baa -0.4239 -56.878 -20.295 -18.972 0.0858 -0.5103 0.8557 2 C(13) Bbb 0.1954 26.220 9.356 8.746 -0.2770 0.8128 0.5125 Bcc 0.2285 30.657 10.939 10.226 0.9570 0.2810 0.0716 Baa -0.3135 -167.271 -59.686 -55.796 0.9707 0.0305 -0.2386 3 H(1) Bbb 0.1500 80.046 28.563 26.701 -0.0443 0.9976 -0.0528 Bcc 0.1635 87.225 31.124 29.095 0.2364 0.0618 0.9697 Baa -0.3095 -165.151 -58.930 -55.088 -0.0889 -0.4884 0.8681 4 H(1) Bbb 0.1469 78.373 27.965 26.142 -0.4401 0.8011 0.4057 Bcc 0.1626 86.778 30.965 28.946 0.8935 0.3460 0.2862 Baa -0.3140 -167.540 -59.782 -55.885 0.4884 0.5225 0.6989 5 H(1) Bbb 0.1495 79.785 28.469 26.613 -0.5846 0.7905 -0.1824 Bcc 0.1645 87.755 31.313 29.272 -0.6478 -0.3195 0.6916 Baa -0.0122 -0.471 -0.168 -0.157 0.6306 0.3491 0.6931 6 N(14) Bbb -0.0006 -0.025 -0.009 -0.008 0.0056 0.8910 -0.4539 Bcc 0.0129 0.496 0.177 0.165 0.7761 -0.2901 -0.5600 Baa -0.3095 -165.122 -58.920 -55.079 0.9132 0.0573 -0.4036 7 H(1) Bbb 0.1414 75.424 26.913 25.159 0.3470 -0.6289 0.6958 Bcc 0.1681 89.698 32.006 29.920 0.2139 0.7754 0.5941 Baa -0.3056 -163.068 -58.187 -54.394 0.5761 0.5283 0.6237 8 H(1) Bbb 0.1386 73.927 26.379 24.659 -0.0226 0.7731 -0.6339 Bcc 0.1671 89.141 31.808 29.734 0.8171 -0.3510 -0.4573 Baa -0.4337 -58.194 -20.765 -19.411 0.8247 0.0227 -0.5652 9 C(13) Bbb 0.2052 27.537 9.826 9.186 0.5541 0.1684 0.8153 Bcc 0.2285 30.656 10.939 10.226 -0.1137 0.9855 -0.1263 Baa -0.1211 -16.246 -5.797 -5.419 0.8155 0.3805 0.4361 10 C(13) Bbb 0.0537 7.212 2.573 2.406 0.0460 0.7085 -0.7042 Bcc 0.0673 9.034 3.224 3.013 -0.5770 0.5943 0.5603 Baa -0.3066 -163.612 -58.381 -54.575 -0.2121 0.9404 0.2658 11 H(1) Bbb 0.1393 74.335 26.525 24.795 0.8961 0.2957 -0.3310 Bcc 0.1673 89.277 31.856 29.780 0.3899 -0.1680 0.9054 Baa -0.3021 -161.211 -57.524 -53.774 0.2064 -0.5166 0.8310 12 H(1) Bbb 0.1363 72.699 25.941 24.250 0.9628 -0.0444 -0.2667 Bcc 0.1659 88.512 31.583 29.524 0.1747 0.8551 0.4881 Baa -0.3138 -167.417 -59.739 -55.844 0.2115 -0.4720 0.8558 13 H(1) Bbb 0.1495 79.746 28.455 26.600 0.8071 0.5782 0.1194 Bcc 0.1643 87.671 31.283 29.244 -0.5512 0.6655 0.5033 Baa -0.3089 -164.819 -58.812 -54.978 0.7905 -0.0952 -0.6051 14 H(1) Bbb 0.1463 78.038 27.846 26.031 0.5736 0.4615 0.6767 Bcc 0.1626 86.781 30.966 28.947 -0.2149 0.8820 -0.4194 Baa -0.3144 -167.772 -59.865 -55.963 -0.1278 0.9742 0.1862 15 H(1) Bbb 0.1504 80.244 28.633 26.766 0.9426 0.0609 0.3284 Bcc 0.1640 87.528 31.232 29.196 -0.3086 -0.2175 0.9260 Baa -0.4311 -57.849 -20.642 -19.296 -0.1731 0.9617 0.2127 16 C(13) Bbb 0.2048 27.481 9.806 9.167 0.7331 0.2701 -0.6242 Bcc 0.2263 30.368 10.836 10.130 0.6577 -0.0479 0.7518 Baa -0.1236 -16.580 -5.916 -5.531 0.8885 -0.2332 -0.3953 17 C(13) Bbb 0.0527 7.076 2.525 2.360 0.2185 -0.5424 0.8112 Bcc 0.0708 9.505 3.392 3.170 0.4036 0.8071 0.4310 Baa -0.3066 -163.586 -58.372 -54.566 0.6961 0.2902 0.6567 18 H(1) Bbb 0.1390 74.184 26.471 24.745 -0.4706 0.8752 0.1122 Bcc 0.1676 89.402 31.901 29.821 -0.5421 -0.3872 0.7458 Baa -0.3019 -161.081 -57.478 -53.731 -0.1148 -0.5380 0.8351 19 H(1) Bbb 0.1359 72.506 25.872 24.185 -0.3584 0.8065 0.4703 Bcc 0.1660 88.575 31.606 29.546 0.9265 0.2453 0.2854 Baa -0.3142 -167.643 -59.819 -55.920 -0.1853 -0.5607 0.8070 20 H(1) Bbb 0.1501 80.086 28.577 26.714 0.8766 -0.4655 -0.1221 Bcc 0.1641 87.557 31.242 29.206 0.4442 0.6848 0.5777 Baa -0.3085 -164.583 -58.727 -54.899 -0.0231 0.9592 0.2816 21 H(1) Bbb 0.1458 77.810 27.764 25.955 0.9468 0.1115 -0.3021 Bcc 0.1626 86.773 30.963 28.944 0.3211 -0.2597 0.9107 Baa -0.3149 -168.004 -59.948 -56.040 0.7264 0.1403 0.6728 22 H(1) Bbb 0.1515 80.846 28.848 26.967 0.6811 -0.2770 -0.6777 Bcc 0.1634 87.158 31.100 29.073 0.0913 0.9506 -0.2968 Baa -0.4387 -58.869 -21.006 -19.636 0.6159 0.3519 0.7049 23 C(13) Bbb 0.2064 27.704 9.885 9.241 -0.4108 -0.6200 0.6685 Bcc 0.2322 31.165 11.121 10.396 -0.6723 0.7012 0.2373 Baa -0.1336 -17.928 -6.397 -5.980 0.8285 0.4736 -0.2987 24 C(13) Bbb 0.0633 8.493 3.030 2.833 0.5424 -0.5462 0.6384 Bcc 0.0703 9.435 3.367 3.147 -0.1392 0.6909 0.7094 Baa -0.3032 -161.785 -57.729 -53.966 -0.2525 0.7602 -0.5986 25 H(1) Bbb 0.1362 72.659 25.927 24.237 0.6567 0.5890 0.4710 Bcc 0.1670 89.126 31.802 29.729 0.7106 -0.2742 -0.6480 Baa -0.3046 -162.533 -57.996 -54.215 -0.5061 0.6658 0.5482 26 H(1) Bbb 0.1361 72.615 25.911 24.222 0.8527 0.2910 0.4338 Bcc 0.1685 89.918 32.085 29.993 -0.1294 -0.6870 0.7150 Baa -0.3190 -170.181 -60.725 -56.766 -0.5402 0.5931 0.5970 27 H(1) Bbb 0.1526 81.413 29.050 27.156 0.6665 0.7346 -0.1269 Bcc 0.1664 88.769 31.675 29.610 0.5138 -0.3294 0.7921 Baa -0.3083 -164.478 -58.690 -54.864 0.5684 0.2494 0.7840 28 H(1) Bbb 0.1456 77.670 27.715 25.908 0.6804 0.3932 -0.6184 Bcc 0.1627 86.808 30.975 28.956 -0.4625 0.8850 0.0538 Baa -0.3144 -167.739 -59.853 -55.952 -0.2256 0.8407 -0.4923 29 H(1) Bbb 0.1498 79.904 28.512 26.653 0.9738 0.1802 -0.1386 Bcc 0.1646 87.835 31.342 29.299 0.0279 0.5107 0.8593 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue Sep 15 17:40:36 2020, MaxMem= 33554432 cpu: 1.1 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 1 1.20 4 1 1.20 5 1 1.20 6 7 1.50 7 1 1.20 8 1 1.20 9 6 1.50 10 6 1.50 11 1 1.20 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 6 1.50 17 6 1.50 18 1 1.20 19 1 1.20 20 1 1.20 21 1 1.20 22 1 1.20 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 27 1 1.20 28 1 1.20 29 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at -0.809336 2.102405 -0.878897 Atomic Center 2 is at -0.224867 0.709011 -1.079676 Atomic Center 3 is at -1.861108 2.080103 -0.627186 Atomic Center 4 is at -0.714902 2.633577 -1.818536 Atomic Center 5 is at -0.285938 2.678894 -0.127089 Atomic Center 6 is at -0.084104 -0.127374 0.172601 Atomic Center 7 is at 0.756603 0.773491 -1.517489 Atomic Center 8 is at -0.843855 0.142984 -1.758666 Atomic Center 9 is at -1.397900 -0.195004 0.937291 Atomic Center 10 is at -2.584411 -0.814513 0.210160 Atomic Center 11 is at -1.632249 0.815830 1.227871 Atomic Center 12 is at -1.181369 -0.750718 1.838913 Atomic Center 13 is at -2.825698 -0.307298 -0.715105 Atomic Center 14 is at -3.442449 -0.713037 0.864398 Atomic Center 15 is at -2.458384 -1.869692 0.011047 Atomic Center 16 is at 0.286188 -1.550134 -0.210497 Atomic Center 17 is at 1.671593 -1.793473 -0.793539 Atomic Center 18 is at -0.459941 -1.868282 -0.919938 Atomic Center 19 is at 0.163674 -2.138442 0.688170 Atomic Center 20 is at 1.878342 -1.196562 -1.671996 Atomic Center 21 is at 1.699601 -2.832897 -1.099249 Atomic Center 22 is at 2.461709 -1.652747 -0.069986 Atomic Center 23 is at 0.928761 0.458253 1.151549 Atomic Center 24 is at 2.171337 1.136206 0.582242 Atomic Center 25 is at 1.204931 -0.358695 1.803048 Atomic Center 26 is at 0.389927 1.176831 1.749086 Atomic Center 27 is at 2.763627 0.504276 -0.060499 Atomic Center 28 is at 2.789202 1.407924 1.430592 Atomic Center 29 is at 1.938815 2.049566 0.052604 ESP Fit Center 30 is at -1.505305 2.504223 1.061250 ESP Fit Center 31 is at -1.781755 3.224636 0.606027 ESP Fit Center 32 is at -1.801226 3.539406 0.287800 ESP Fit Center 33 is at -1.527459 3.904757 -0.075262 ESP Fit Center 34 is at -1.898122 3.708244 -0.075262 ESP Fit Center 35 is at -1.325593 4.096305 -0.469208 ESP Fit Center 36 is at -1.716394 3.951568 -0.469208 ESP Fit Center 37 is at -0.809336 4.202405 -0.878897 ESP Fit Center 38 is at -1.219026 4.162054 -0.878897 ESP Fit Center 39 is at -1.612972 4.042552 -0.878897 ESP Fit Center 40 is at -1.976034 3.848492 -0.878897 ESP Fit Center 41 is at 1.083394 2.914640 -1.288587 ESP Fit Center 42 is at 0.881148 3.279017 -1.288587 ESP Fit Center 43 is at 0.609694 3.595224 -1.288587 ESP Fit Center 44 is at -1.716394 3.951568 -1.288587 ESP Fit Center 45 is at -2.070060 3.731126 -1.288587 ESP Fit Center 46 is at 1.085451 2.519480 -1.682533 ESP Fit Center 47 is at 0.951493 2.917052 -1.682533 ESP Fit Center 48 is at -2.217874 3.436643 -1.682533 ESP Fit Center 49 is at -2.355419 1.290959 -2.045595 ESP Fit Center 50 is at -2.294261 2.102405 -2.363822 ESP Fit Center 51 is at -2.234111 1.684054 -2.363822 ESP Fit Center 52 is at -2.058534 1.299595 -2.363822 ESP Fit Center 53 is at -1.801283 1.488218 -2.624983 ESP Fit Center 54 is at 0.176951 1.404980 -3.019823 ESP Fit Center 55 is at -0.224867 1.512647 -3.019823 ESP Fit Center 56 is at -0.626684 1.404980 -3.019823 ESP Fit Center 57 is at 0.184823 0.709011 -3.139325 ESP Fit Center 58 is at -0.020022 1.063813 -3.139325 ESP Fit Center 59 is at -0.429711 1.063813 -3.139325 ESP Fit Center 60 is at -2.078516 2.456665 0.995569 ESP Fit Center 61 is at -1.861108 2.920103 0.827736 ESP Fit Center 62 is at -2.281108 2.807565 0.827736 ESP Fit Center 63 is at -2.588570 2.500103 0.827736 ESP Fit Center 64 is at -2.701108 2.080103 0.827736 ESP Fit Center 65 is at -2.186203 3.222694 0.560753 ESP Fit Center 66 is at -2.577002 3.028100 0.560753 ESP Fit Center 67 is at -2.871115 2.705473 0.560753 ESP Fit Center 68 is at -3.028821 2.298387 0.560753 ESP Fit Center 69 is at -3.028821 1.861820 0.560753 ESP Fit Center 70 is at -2.184859 3.498548 0.212814 ESP Fit Center 71 is at -2.588570 3.340103 0.212814 ESP Fit Center 72 is at -2.927642 3.069702 0.212814 ESP Fit Center 73 is at -3.171948 2.711371 0.212814 ESP Fit Center 74 is at -3.299781 2.296948 0.212814 ESP Fit Center 75 is at -3.299781 1.863258 0.212814 ESP Fit Center 76 is at -3.171948 1.448836 0.212814 ESP Fit Center 77 is at -2.281108 3.647565 -0.192370 ESP Fit Center 78 is at -2.672486 3.485451 -0.192370 ESP Fit Center 79 is at -3.008570 3.227565 -0.192370 ESP Fit Center 80 is at -3.266456 2.891481 -0.192370 ESP Fit Center 81 is at -3.428570 2.500103 -0.192370 ESP Fit Center 82 is at -3.483864 2.080103 -0.192370 ESP Fit Center 83 is at -3.428570 1.660103 -0.192370 ESP Fit Center 84 is at -3.266456 1.268726 -0.192370 ESP Fit Center 85 is at -2.175909 3.730346 -0.627186 ESP Fit Center 86 is at -2.576417 3.600213 -0.627186 ESP Fit Center 87 is at -2.931981 3.374566 -0.627186 ESP Fit Center 88 is at -3.220257 3.067583 -0.627186 ESP Fit Center 89 is at -3.423133 2.698553 -0.627186 ESP Fit Center 90 is at -3.527861 2.290663 -0.627186 ESP Fit Center 91 is at -3.527861 1.869544 -0.627186 ESP Fit Center 92 is at -3.423133 1.461654 -0.627186 ESP Fit Center 93 is at -2.281108 3.647565 -1.062002 ESP Fit Center 94 is at -2.672486 3.485451 -1.062002 ESP Fit Center 95 is at -3.008570 3.227565 -1.062002 ESP Fit Center 96 is at -3.266456 2.891481 -1.062002 ESP Fit Center 97 is at -3.428570 2.500103 -1.062002 ESP Fit Center 98 is at -3.483864 2.080103 -1.062002 ESP Fit Center 99 is at -3.428570 1.660103 -1.062002 ESP Fit Center 100 is at -2.588570 3.340103 -1.467186 ESP Fit Center 101 is at -2.927642 3.069702 -1.467186 ESP Fit Center 102 is at -3.171948 2.711371 -1.467186 ESP Fit Center 103 is at -3.299781 2.296948 -1.467186 ESP Fit Center 104 is at -3.299781 1.863258 -1.467186 ESP Fit Center 105 is at -3.171948 1.448836 -1.467186 ESP Fit Center 106 is at -2.577002 3.028100 -1.815126 ESP Fit Center 107 is at -2.871115 2.705473 -1.815126 ESP Fit Center 108 is at -3.028821 2.298387 -1.815126 ESP Fit Center 109 is at -3.028821 1.861820 -1.815126 ESP Fit Center 110 is at -2.871115 1.454734 -1.815126 ESP Fit Center 111 is at -2.577002 1.132107 -1.815126 ESP Fit Center 112 is at -2.588570 2.500103 -2.082109 ESP Fit Center 113 is at -2.701108 2.080103 -2.082109 ESP Fit Center 114 is at -2.588570 1.660103 -2.082109 ESP Fit Center 115 is at 0.432559 3.781038 -1.383720 ESP Fit Center 116 is at 0.096475 4.038924 -1.383720 ESP Fit Center 117 is at -0.294902 4.201038 -1.383720 ESP Fit Center 118 is at -0.714902 4.256332 -1.383720 ESP Fit Center 119 is at -1.134902 4.201038 -1.383720 ESP Fit Center 120 is at -1.526280 4.038924 -1.383720 ESP Fit Center 121 is at 0.912318 3.051376 -1.818536 ESP Fit Center 122 is at 0.757293 3.442923 -