52
tepa_CuNO, electronic energy = -2803.10507065 a.u
 C   -0.866293   -2.185610    1.637370
 H   -0.448612   -2.839257    0.859168
 H   -0.789402   -2.742243    2.592945
 C   -2.347243   -1.993948    1.363426
 H   -2.806749   -2.989026    1.473553
 H   -2.808590   -1.392456    2.165032
 C   -2.799082   -1.428410    0.037586
 C   -4.155617   -1.576163   -0.294000
 C   -2.450402   -0.175008   -1.872888
 C   -4.657887   -0.995461   -1.452403
 H   -4.807573   -2.145163    0.371785
 C   -3.782283   -0.264574   -2.256906
 H   -1.736343    0.380753   -2.481109
 H   -5.711099   -1.105090   -1.719850
 H   -4.118626    0.227454   -3.170734
 N   -0.007168   -0.980818    1.728072
 N   -1.952758   -0.752660   -0.762450
Cu    0.150615   -0.258681   -0.354564
 C    1.322206   -1.417709    2.210121
 H    1.893213   -0.521158    2.488155
 H    1.194307   -2.015490    3.133642
 C   -0.544785    0.041235    2.656147
 H   -1.053104   -0.457177    3.503298
 H    0.311088    0.576156    3.090464
 C    2.145598   -2.220373    1.192770
 H    2.834971   -2.877472    1.740050
 H    1.501887   -2.884414    0.595104
 C   -1.491833    1.090783    2.052891
 H   -2.268400    0.615132    1.440914
 H   -2.013220    1.569655    2.894283
 C    2.940590   -1.327357    0.284263
 C    4.338546   -1.394315    0.250308
 C    2.957298    0.429916   -1.223776
 C    5.054053   -0.508636   -0.552618
 H    4.854718   -2.140823    0.856144
 C    4.346014    0.431561   -1.301135
 H    2.370871    1.126690   -1.821587
 H    6.144702   -0.550688   -0.591355
 H    4.854271    1.150684   -1.945124
 C   -0.842075    2.174193    1.226241
 C   -0.894994    3.513978    1.633081
 C   -0.350583    4.505994    0.817862
 H   -1.373527    3.773635    2.579129
 C    0.254462    2.781975   -0.725233
 C    0.227315    4.135177   -0.396863
 H   -0.388558    5.554434    1.121707
 H    0.683267    2.445779   -1.672697
 H    0.647199    4.875441   -1.079723
 N   -0.250337    1.826561    0.067120
 N    2.263293   -0.426713   -0.455733
 N    0.392217   -0.114345   -2.472308
 O    0.641340   -1.087658   -3.073898
