--Link1-- %chk=molecule #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt remark line goes here -1 1 C O 1 b2 C 2 b3 1 a3 O 1 b4 1 a4 1 t4 C 4 b5 1 a5 1 t5 O 1 b6 1 a6 1 t6 C 6 b7 1 a7 1 t7 C 1 b8 1 a8 1 t8 C 1 b9 8 a9 1 t9 C 8 b10 1 a10 9 t10 C 9 b11 1 a11 8 t11 C 9 b12 1 a12 8 t12 C 10 b13 8 a13 1 t13 C 10 b14 8 a14 1 t14 C 11 b15 9 a15 1 t15 C 12 b16 9 a16 1 t16 C 13 b17 10 a17 8 t17 C 14 b18 10 a18 8 t18 C 15 b19 11 a19 9 t19 C 17 b20 2 a20 3 t20 C 19 b21 15 a21 11 t21 N 21 b22 19 a22 15 t22 C 22 b23 21 a23 19 t23 O 21 b24 19 a24 15 t24 C 23 b25 22 a25 21 t25 C 25 b26 23 a26 22 t26 O 26 b27 25 a27 23 t27 H 1 b28 8 a28 10 t28 H 3 b29 2 a29 17 t29 H 3 b30 2 a30 17 t30 H 3 b31 2 a31 17 t31 H 5 b32 4 a32 20 t32 H 5 b33 4 a33 20 t33 H 5 b34 4 a34 20 t34 H 7 b35 6 a35 18 t35 H 7 b36 6 a36 18 t36 H 7 b37 6 a37 18 t37 H 8 b38 1 a38 9 t38 H 11 b39 9 a39 1 t39 H 12 b40 9 a40 1 t40 H 13 b41 10 a41 8 t41 H 14 b42 10 a42 8 t42 H 15 b43 11 a43 9 t43 H 16 b44 12 a44 9 t44 H 22 b45 21 a45 19 t45 H 23 b46 22 a46 21 t46 H 23 b47 22 a47 21 t47 H 25 b48 23 a48 22 t48 H 25 b49 23 a49 22 t49 H 26 b50 25 a50 23 t50 H 26 b51 25 a51 23 t51 Variables: b2= 6.1651 b3= 1.4205 a3= 95.9196 b4= 6.5590 a4= nan t4= 0.0000 b5= 1.4005 a5= 116.3660 t5= -43.1481 b6= 5.3071 a6= nan t6= -2472.2017 b7= 1.4209 a7= 77.3769 t7= 34.2272 b8= 1.3394 a8= nan t8= 1961.0716 b9= 1.4823 a9= 123.8017 t9= 45.0000 b10= 1.4812 a10= 124.2502 t10= -179.9755 b11= 1.4076 a11= 119.3925 t11= -1.5868 b12= 1.4093 a12= 122.2461 t12= 178.3496 b13= 1.4081 a13= 119.3763 t13= -178.6469 b14= 1.4102 a14= 121.9080 t14= 1.3666 b15= 1.4053 a15= 121.0408 t15= -179.9851 b16= 1.4069 a16= 120.6096 t16= -179.9602 b17= 1.4063 a17= 120.9080 t17= -179.9958 b18= 1.4089 a18= 120.7979 t18= 179.9817 b19= 1.4120 a19= 120.7477 t19= -0.0956 b20= 1.4074 a20= 115.3292 t20= -179.9380 b21= 1.4874 a21= 121.8718 t21= -179.9429 b22= 1.3404 a22= 118.3006 t22= 0.6194 b23= 1.4515 a23= 122.5585 t23= 179.9945 b24= 1.2310 a24= 120.0423 t24= -179.4729 b25= 1.4776 a25= 114.3057 t25= 154.4117 b26= 1.4762 a26= 106.9341 t26= 85.1519 b27= 1.4267 a27= 100.0042 t27= -123.9588 b28= 1.0994 a28= 118.1671 t28= -0.0149 b29= 1.0796 a29= 109.4722 t29= 141.8360 b30= 1.0807 a30= 109.4574 t30= 21.8454 b31= 1.0796 a31= 109.5041 t31= -98.3144 b32= 1.0804 a32= 109.3709 t32= -35.1935 b33= 1.0800 a33= 109.4625 t33= -155.1464 b34= 1.0800 a34= 109.5059 t34= 84.6017 b35= 1.0798 a35= 109.5105 t35= -133.8634 b36= 1.0805 a36= 109.4646 t36= -13.9040 b37= 1.0803 a37= 109.5296 t37= 106.1295 b38= 1.1003 a38= 117.8918 t38= -0.0295 b39= 1.1003 a39= 119.4052 t39= -0.0920 b40= 1.1007 a40= 119.7015 t40= 0.0515 b41= 1.1000 a41= 119.4366 t41= -0.0002 b42= 1.1014 a42= 119.5916 t42= 0.0130 b43= 1.0998 a43= 119.6481 t43= 179.9937 b44= 1.1018 a44= 119.4300 t44= 179.9807 b45= 1.0065 a45= 119.7229 t45= -0.0578 b46= 1.1175 a46= 107.3700 t46= -86.5600 b47= 1.1143 a47= 108.8772 t47= 32.3716 b48= 1.1228 a48= 109.6388 t48= -156.1217 b49= 1.1229 a49= 109.5276 t49= -33.5107 b50= 1.1241 a50= 110.3287 t50= -7.8124 b51= 1.1135 a51= 112.7664 t51= 116.1178