52
tepa_CuOO, electronic energy = -2823.48395091 a.u
 C   -1.396931    1.669877    1.968377
 H   -1.947527    0.780171    2.297510
 H   -1.353020    2.349992    2.838610
 C   -2.180908    2.329292    0.823325
 H   -2.937363    3.002126    1.249117
 H   -1.517949    2.960743    0.211433
 C   -2.875382    1.303077   -0.029379
 C   -4.265130    1.314791   -0.179357
 C   -2.736819   -0.685349   -1.220981
 C   -4.895887    0.286698   -0.880619
 H   -4.844564    2.128484    0.259721
 C   -4.116460   -0.745185   -1.399293
 H   -2.092710   -1.468314   -1.629826
 H   -5.980683    0.287528   -1.007472
 H   -4.558328   -1.584213   -1.938232
 N   -0.025419    1.278863    1.583083
 N   -2.130312    0.317847   -0.576429
Cu   -0.081793    0.246582   -0.391750
 C    0.553494    0.308281    2.547409
 H    1.608029    0.165340    2.271576
 H    0.544193    0.765675    3.555358
 C    0.830060    2.507103    1.539133
 H    0.261901    3.350753    1.959521
 H    1.691858    2.361248    2.207072
 C   -0.132364   -1.062642    2.638782
 H    0.062456   -1.452760    3.647467
 H   -1.226978   -0.951450    2.577059
 C    1.350917    2.915725    0.157971
 H    0.516436    2.997232   -0.557498
 H    1.797546    3.916542    0.246645
 C    0.286683   -2.117192    1.642911
 C    0.736823   -3.368290    2.085484
 C    0.452308   -2.801795   -0.568425
 C    1.044162   -4.358759    1.153220
 H    0.834300   -3.562282    3.155188
 C    0.887740   -4.074421   -0.203548
 H    0.304790   -2.537956   -1.619339
 H    1.392562   -5.340015    1.483197
 H    1.097958   -4.820265   -0.971756
 C    2.367796    1.953395   -0.381108
 C    3.710138    2.298951   -0.566282
 C    4.599937    1.342428   -1.055413
 H    4.045195    3.312115   -0.337993
 C    2.772192   -0.204409   -1.140896
 C    4.122163    0.064353   -1.349037
 H    5.651270    1.593998   -1.211371
 H    2.346385   -1.178647   -1.379925
 H    4.778412   -0.713878   -1.741202
 N    1.923158    0.715428   -0.660488
 N    0.167189   -1.844919    0.331359
 O   -0.670295   -1.017065   -2.945692
 O    0.128835   -0.237828   -2.359360
