#HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) popt remark line goes here 0 1 H C 1 b2 H 2 b3 1 a3 H 2 b4 3 a4 1 t4 C 2 b5 4 a5 1 t5 O 5 b6 2 a6 1 t6 N 5 b7 2 a7 1 t7 C 7 b8 5 a8 2 t8 H 8 b9 7 a9 5 t9 H 8 b10 7 a10 5 t10 C 8 b11 7 a11 5 t11 H 11 b12 8 a12 7 t12 O 11 b13 8 a13 7 t13 C 11 b14 8 a14 7 t14 H 14 b15 11 a15 8 t15 H 14 b16 11 a16 8 t16 C 7 b17 5 a17 2 t17 H 17 b18 7 a18 5 t18 C 17 b19 7 a19 5 t19 O 19 b20 17 a20 7 t20 N 19 b21 17 a21 7 t21 H 21 b22 19 a22 17 t22 C 21 b23 19 a23 17 t23 H 23 b24 21 a24 19 t24 H 23 b25 21 a25 19 t25 H 23 b26 21 a26 19 t26 H 13 b27 11 a27 8 t27 Variables: b2= 1.0840 b3= 1.0796 a3= 109.4058 b4= 1.0856 a4= 108.4214 t4= 118.0898 b5= 1.5176 a5= 110.8585 t5= 123.4518 b6= 1.1989 a6= 120.2336 t6= -133.1228 b7= 1.3689 a7= 117.7030 t7= 44.4709 b8= 1.4689 a8= 118.2877 t8= 168.4375 b9= 1.0807 a9= 109.7477 t9= 110.6149 b10= 1.0778 a10= 109.0281 t10= -9.0855 b11= 1.5447 a11= 106.0047 t11= -128.7951 b12= 1.0813 a12= 110.1110 t12= -116.9378 b13= 1.4061 a13= 113.2250 t13= 119.4787 b14= 1.5306 a14= 104.9344 t14= 2.1172 b15= 1.0827 a15= 113.0893 t15= -146.0851 b16= 1.0843 a16= 107.8888 t16= 93.8968 b17= 1.4599 a17= 124.0278 t17= 24.4654 b18= 1.0784 a18= 111.3339 t18= -7.3240 b19= 1.5298 a19= 109.7421 t19= -129.9756 F b20= 1.2023 a20= 121.4354 t20= -61.5108 b21= 1.3472 a21= 116.0277 t21= 120.0436 F b22= 0.9928 a22= 119.2855 t22= -7.5333 b23= 1.4488 a23= 121.5570 t23= -177.9409 b24= 1.0802 a24= 109.8226 t24= -49.3433 b25= 1.0839 a25= 111.6122 t25= 70.9727 b26= 1.0817 a26= 108.7149 t26= -168.6356 b27= 0.9471 a27= 109.6555 t27= 72.4683