#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= 1.0826 b3= 1.0847 a3= 107.8929 b4= 1.0801 a4= 108.4379 t4= 118.8101 b5= 1.5137 a5= 107.6178 t5= 123.1519 b6= 1.2019 a6= 121.2198 t6= 138.9979 b7= 1.3627 a7= 117.9673 t7= -41.6368 b8= 1.4599 a8= 119.5079 t8= 170.9197 b9= 1.0864 a9= 111.3093 t9= 85.8399 b10= 1.0808 a10= 110.2714 t10= -33.5158 b11= 1.5252 a11= 103.3759 t11= -154.6980 b12= 1.0859 a12= 112.0316 t12= -153.7875 b13= 1.4035 a13= 111.8456 t13= 81.3324 b14= 1.5211 a14= 102.6983 t14= -32.9501 b15= 1.0847 a15= 109.7304 t15= -78.6396 b16= 1.0806 a16= 112.3863 t16= 160.1776 b17= 1.4609 a17= 127.0657 t17= 3.2662 b18= 1.0814 a18= 111.1831 t18= 60.5957 b19= 1.5268 a19= 115.4319 t19= -60.0915 F b20= 1.2002 a20= 120.3264 t20= 144.2359 b21= 1.3495 a21= 116.3408 t21= -39.9256 F b22= 0.9937 a22= 118.2655 t22= 13.6535 b23= 1.4478 a23= 121.4520 t23= 179.6723 b24= 1.0848 a24= 111.9358 t24= -70.7119 b25= 1.0802 a25= 109.8082 t25= 49.6560 b26= 1.0818 a26= 108.7105 t26= 168.8930 b27= 0.9475 a27= 110.1222 t27= 62.2454