Hybridized orbitals: S SP SP2 SP3 SP3D2 P S SD SD2 SD3 SD5 D Entering Gaussian System Standard orientation: ------------------------------------------------------- 1 6 0 3.500000 -3.500000 0.000000 2 6 0 7.000000 -3.500000 0.000000 3 6 0 10.500000 -3.500000 0.000000 4 6 0 14.000000 -3.500000 0.000000 5 6 0 17.500000 -3.500000 0.000000 6 6 0 21.000000 -3.500000 0.000000 7 6 0 3.500000 -7.000000 0.000000 8 6 0 7.000000 -7.000000 0.000000 9 6 0 10.500000 -7.000000 0.000000 10 6 0 14.000000 -7.000000 0.000000 11 6 0 17.500000 -7.000000 0.000000 12 6 0 21.000000 -7.000000 0.000000 ------------------------------------------------------- AO basis set (Overlap normalization): Atom C1 Shell 1 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C1 Shell 2 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C1 Shell 3 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C2 Shell 4 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C2 Shell 5 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C2 Shell 6 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C3 Shell 7 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C3 Shell 8 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C3 Shell 9 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C4 Shell 10 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C4 Shell 11 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C4 Shell 12 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C5 Shell 13 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C5 Shell 14 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C5 Shell 15 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C6 Shell 16 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C6 Shell 17 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C6 Shell 18 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C7 Shell 19 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C7 Shell 20 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C7 Shell 21 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C8 Shell 22 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C8 Shell 23 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C8 Shell 24 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C9 Shell 25 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C9 Shell 26 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C9 Shell 27 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C10 Shell 28 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C10 Shell 29 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C10 Shell 30 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C11 Shell 31 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C11 Shell 32 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C11 Shell 33 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C12 Shell 34 S 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C12 Shell 35 P 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Atom C12 Shell 36 D 1 5.0000000000e-01 1.0000000000e+00 1.0000000000e+00 Molecular Orbital Coefficients: 1 V Eigenvalues -- 0.00000 1 C1 .S 1.00000 2 C1 .X 0.00000 3 C1 .Y 0.00000 4 C1 .Z 0.00000 5 C1 .XX 0.00000 6 C1 .YY 0.00000 7 C1 .ZZ 0.00000 8 C1 .XY 0.00000 9 C1 .XZ 0.00000 10 C1 .YZ 0.00000 11 C2 .S 0.70711 12 C2 .X 0.00000 13 C2 .Y 0.70711 14 C2 .Z 0.00000 15 C2 .XX 0.00000 16 C2 .YY 0.00000 17 C2 .ZZ 0.00000 18 C2 .XY 0.00000 19 C2 .XZ 0.00000 20 C2 .YZ 0.00000 21 C3 .S 0.57735 22 C3 .X 0.00000 23 C3 .Y 0.81650 24 C3 .Z 0.00000 25 C3 .XX 0.00000 26 C3 .YY 0.00000 27 C3 .ZZ 0.00000 28 C3 .XY 0.00000 29 C3 .XZ 0.00000 30 C3 .YZ 0.00000 31 C4 .S 0.50000 32 C4 .X 0.00000 33 C4 .Y 0.86603 34 C4 .Z 0.00000 35 C4 .XX 0.00000 36 C4 .YY 0.00000 37 C4 .ZZ 0.00000 38 C4 .XY 0.00000 39 C4 .XZ 0.00000 40 C4 .YZ 0.00000 41 C5 .S 0.40825 42 C5 .X 0.00000 43 C5 .Y 0.70711 44 C5 .Z 0.00000 45 C5 .XX -0.28868 46 C5 .YY 0.57735 47 C5 .ZZ -0.28868 48 C5 .XY 0.00000 49 C5 .XZ 0.00000 50 C5 .YZ 0.00000 51 C6 .S 0.00000 52 C6 .X 0.00000 53 C6 .Y 1.00000 54 C6 .Z 0.00000 55 C6 .XX 0.00000 56 C6 .YY 0.00000 57 C6 .ZZ 0.00000 58 C6 .XY 0.00000 59 C6 .XZ 0.00000 60 C6 .YZ 0.00000 61 C7 .S 1.00000 62 C7 .X 0.00000 63 C7 .Y 0.00000 64 C7 .Z 0.00000 65 C7 .XX 0.00000 66 C7 .YY 0.00000 67 C7 .ZZ 0.00000 68 C7 .XY 0.00000 69 C7 .XZ 0.00000 70 C7 .YZ 0.00000 71 C8 .S 0.70711 72 C8 .X 0.00000 73 C8 .Y 0.00000 74 C8 .Z 0.00000 75 C8 .XX -0.35355 76 C8 .YY 0.70711 77 C8 .ZZ -0.35355 78 C8 .XY 0.00000 79 C8 .XZ 0.00000 80 C8 .YZ 0.00000 81 C9 .S 0.57735 82 C9 .X 0.00000 83 C9 .Y 0.00000 84 C9 .Z 0.00000 85 C9 .XX -0.40825 86 C9 .YY 0.81650 87 C9 .ZZ -0.40825 88 C9 .XY 0.00000 89 C9 .XZ 0.00000 90 C9 .YZ 0.00000 91 C10 .S 0.50000 92 C10 .X 0.00000 93 C10 .Y 0.00000 94 C10 .Z 0.00000 95 C10 .XX -0.43301 96 C10 .YY 0.86603 97 C10 .ZZ -0.43301 98 C10 .XY 0.00000 99 C10 .XZ 0.00000 100 C10 .YZ 0.00000 101 C11 .S 0.40825 102 C11 .X 0.00000 103 C11 .Y 0.00000 104 C11 .Z 0.00000 105 C11 .XX -0.45644 106 C11 .YY 0.91287 107 C11 .ZZ -0.45644 108 C11 .XY 0.00000 109 C11 .XZ 0.00000 110 C11 .YZ 0.00000 111 C12 .S 0.00000 112 C12 .X 0.00000 113 C12 .Y 0.00000 114 C12 .Z 0.00000 115 C12 .XX -0.50000 116 C12 .YY 1.00000 117 C12 .ZZ -0.50000 118 C12 .XY 0.00000 119 C12 .XZ 0.00000 120 C12 .YZ 0.00000