Entering Gaussian System Standard orientation: ------------------------------------------------------- 1 7 0 0.000000 0.000000 0.552749 2 7 0 0.000000 0.000000 -0.552749 ------------------------------------------------------- AO basis set (Overlap normalization): Atom N1 Shell 1 S 6 4.1735114600e+03 1.8347721600e-03 6.2745791100e+02 1.3994627000e-02 1.4290209300e+02 6.8586551810e-02 4.0234329300e+01 2.3224087300e-01 1.2820212900e+01 4.6906994810e-01 4.3904370100e+00 3.6045519910e-01 Atom N1 Shell 2 SP 3 1.1626361860e+01 -1.1496118170e-01 6.7579743880e-02 2.7162798070e+00 -1.6911747860e-01 3.2390729590e-01 7.7221839660e-01 1.1458519470e+00 7.4089513980e-01 Atom N1 Shell 3 SP 1 2.1203149750e-01 1.0000000000e+00 1.0000000000e+00 Atom N1 Shell 4 D 1 8.0000000000e-01 1.0000000000e+00 Atom N2 Shell 5 S 6 4.1735114600e+03 1.8347721600e-03 6.2745791100e+02 1.3994627000e-02 1.4290209300e+02 6.8586551810e-02 4.0234329300e+01 2.3224087300e-01 1.2820212900e+01 4.6906994810e-01 4.3904370100e+00 3.6045519910e-01 Atom N2 Shell 6 SP 3 1.1626361860e+01 -1.1496118170e-01 6.7579743880e-02 2.7162798070e+00 -1.6911747860e-01 3.2390729590e-01 7.7221839660e-01 1.1458519470e+00 7.4089513980e-01 Atom N2 Shell 7 SP 1 2.1203149750e-01 1.0000000000e+00 1.0000000000e+00 Atom N2 Shell 8 D 1 8.0000000000e-01 1.0000000000e+00 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -387.25183-387.25183 -33.75872 -17.38445 -17.38445 1 N1 .S 0.00450 1.01289 0.04418 -0.09696 0.02819 2 N1 .S -0.00690 -0.02650 -0.28427 0.39108 -0.02209 3 N1 .X 0.00000 -0.00000 0.00000 -0.00000 0.00000 4 N1 .Y -0.00000 -0.00000 0.00000 -0.00000 -0.00000 5 N1 .Z 0.01956 -0.00781 0.36966 0.39681 0.08487 6 N1 .S -0.02877 -0.02880 -0.06294 0.90694 -0.40420 7 N1 .X 0.00000 -0.00000 -0.00000 -0.00000 0.00000 8 N1 .Y -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 9 N1 .Z 0.02892 -0.01741 0.09627 0.04472 0.25789 10 N1 .XX 0.00005 -0.00765 0.01417 -0.00591 0.00064 11 N1 .YY 0.00005 -0.00765 0.01417 -0.00591 0.00064 12 N1 .ZZ -0.00157 -0.00513 -0.02881 -0.03801 0.01032 13 N1 .XY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 14 N1 .XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 15 N1 .YZ 0.00000 0.00000 -0.00000 0.00000 0.00000 16 N2 .S 1.01289 0.00450 0.04418 0.02819 -0.09696 17 N2 .S -0.02650 -0.00690 -0.28427 -0.02209 0.39108 18 N2 .X -0.00000 -0.00000 -0.00000 -0.00000 0.00000 19 N2 .Y 0.00000 -0.00000 0.00000 -0.00000 0.00000 20 N2 .Z 0.00781 -0.01956 -0.36966 -0.08487 -0.39681 21 N2 .S -0.02880 -0.02877 -0.06294 -0.40420 0.90694 22 N2 .X -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 23 N2 .Y 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 24 N2 .Z 0.01741 -0.02892 -0.09627 -0.25789 -0.04472 25 N2 .XX -0.00765 0.00005 0.01417 0.00064 -0.00591 26 N2 .YY -0.00765 0.00005 0.01417 0.00064 -0.00591 27 N2 .ZZ -0.00513 -0.00157 -0.02881 0.01032 -0.03801 28 N2 .XY 0.00000 -0.00000 0.00000 -0.00000 0.00000 29 N2 .XZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 30 N2 .YZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 6 7 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1.01168 -0.08896 14 N1 .XZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 15 N1 .YZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 16 N2 .S -0.03549 0.00652 0.01064 -0.00000 -0.00000 17 N2 .S -1.13609 -0.32795 -0.98091 0.00000 0.00000 18 N2 .X -0.00000 -0.00000 0.00000 0.00000 -0.00000 19 N2 .Y 0.00000 -0.00000 0.00000 -0.00000 0.00000 20 N2 .Z -0.29967 -0.55026 0.84189 -0.00000 -0.00000 21 N2 .S 5.24850 -2.38407 3.50270 0.00000 0.00000 22 N2 .X 0.00000 0.00000 -0.00000 0.00000 0.00000 23 N2 .Y 0.00000 -0.00000 0.00000 0.00000 -0.00000 24 N2 .Z 3.18005 -1.25094 0.86248 0.00000 0.00000 25 N2 .XX -0.01540 0.10259 -0.43032 -0.00000 -0.00000 26 N2 .YY -0.01540 0.10259 -0.43032 -0.00000 0.00000 27 N2 .ZZ -0.02834 -0.21511 0.83682 -0.00000 -0.00000 28 N2 .XY 0.00000 0.00000 0.00000 -0.08896 1.01168 29 N2 .XZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 30 N2 .YZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 21 22 23 24 25 V V V V V Eigenvalues -- 46.10869 46.10869 52.2142127211.395227211.3952 1 N1 .S 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