104
tepa_Cu2NO2, electronic energy = -5606.16085014 a.u
 C    2.611759    0.938388    2.871958
 H    1.559391    0.662882    2.993120
 H    3.089951    0.770915    3.856299
 C    2.719820    2.440407    2.617348
 H    2.237501    2.923342    3.483794
 H    3.774804    2.753664    2.691924
 C    2.166448    3.072671    1.359157
 C    2.237261    4.472357    1.239807
 C    1.392083    2.899807   -0.809771
 C    1.893533    5.077278    0.036035
 H    2.591510    5.069913    2.082489
 C    1.473614    4.269922   -1.025192
 H    1.060006    2.239148   -1.612698
 H    1.962514    6.161324   -0.079033
 H    1.210696    4.693031   -1.995217
 N    3.228629   -0.004381    1.897285
 N    1.723425    2.311377    0.349917
Cu    1.790465   -0.120184    0.186599
 C    3.357092   -1.333027    2.554143
 H    4.062153   -1.928182    1.959855
 H    3.823501   -1.189624    3.546760
 C    4.604611    0.425652    1.524767
 H    5.073439    0.931105    2.387405
 H    5.200575   -0.479470    1.350699
 C    2.069465   -2.154066    2.711415
 H    2.170241   -2.775167    3.612004
 H    1.205097   -1.500780    2.889583
 C    4.747364    1.304079    0.280692
 H    4.065364    2.158960    0.304058
 H    5.763900    1.721370    0.298924
 C    1.833947   -3.057571    1.527438
 C    1.915481   -4.450904    1.660313
 C    1.454980   -3.261684   -0.743224
 C    1.769552   -5.258411    0.533543
 H    2.102952   -4.891985    2.640974
 C    1.528803   -4.651469   -0.699517
 H    1.246615   -2.758956   -1.689670
 H    1.839717   -6.345170    0.617831
 H    1.395626   -5.238033   -1.609320
 C    4.573897    0.552294   -1.010980
 C    5.632740    0.497211   -1.927654
 C    5.495110   -0.218282   -3.114589
 H    6.563509    1.019344   -1.700189
 C    3.281282   -0.771308   -2.401100
 C    4.287570   -0.871840   -3.356243
 H    6.315484   -0.266321   -3.833951
 H    2.323259   -1.254461   -2.576825
 H    4.120448   -1.449388   -4.266608
 N    3.404557   -0.080295   -1.255988
 N    1.616206   -2.481196    0.331784
Cu   -1.789248   -0.052189   -0.177993
 N   -3.257851    0.022810   -1.865988
 C   -2.603782    0.908546   -2.869617
 C   -3.475219   -1.313105   -2.488237
 C   -4.609177    0.528674   -1.490552
 H   -1.567515    0.576563   -2.991449
 H   -3.094502    0.738396   -3.847770
 C   -2.647878    2.420619   -2.655418
 H   -4.168331   -1.865402   -1.840741
 H   -3.995332   -1.162597   -3.453165
 C   -2.240983   -2.195681   -2.712231
 H   -5.052760    1.056560   -2.352827
 H   -5.251641   -0.343682   -1.316068
 C   -4.713477    1.413368   -0.246986
 H   -2.150489    2.859317   -3.536349
 H   -3.691080    2.769156   -2.740247
 C   -2.077916    3.083950   -1.419463
 H   -2.436444   -2.833292   -3.585322
 H   -1.361214   -1.590540   -2.966629
 C   -1.959678   -3.077316   -1.522894
 H   -4.018445    2.257001   -0.286133
 H   -5.723586    1.846678   -0.251300
 C   -4.531653    0.665224    1.046460
 C   -2.057589    4.490025   -1.390031
 N   -1.718689    2.363307   -0.347590
 C   -2.076234   -4.472086   -1.613028
 N   -1.665003   -2.473663   -0.358850
 C   -5.568924    0.642506    1.989075
 N   -3.373831    0.005031    1.268853
 C   -1.708709    5.149958   -0.217223
 H   -2.346616    5.052727   -2.280226
 C   -1.386039    3.004618    0.784555
 C   -1.894413   -5.250840   -0.471344
 H   -2.322154   -4.935714   -2.570113
 C   -1.474275   -3.227311    0.729461
 C   -5.419632   -0.069722    3.176523
 H   -6.491621    1.186842    1.781629
 C   -3.239935   -0.686003    2.413352
 C   -1.378332    4.388638    0.907067
 H   -1.705827    6.241429   -0.175079
 H   -1.131835    2.381922    1.643362
 C   -1.585288   -4.615187    0.732096
 H   -1.993242   -6.337566   -0.520460
 H   -1.208493   -2.701216    1.649078
 C   -4.224792   -0.755888    3.392438
 H   -6.222640   -0.092165    3.916426
 H   -2.296903   -1.207228    2.562327
 H   -1.116402    4.855796    1.857009
 H   -1.426774   -5.179152    1.652029
 H   -4.053135   -1.335708    4.300478
 N   -0.211434   -0.074759    1.189932
 N    0.181572   -0.051038   -1.169257
 O    0.331911   -0.320096   -2.299134
 O   -0.393731    0.225839    2.306004
