54
tepa_CuNO-NO, electronic energy = -2932.90387730 a.u
 C   -1.100863   -0.470216    2.507004
 H   -0.869568   -1.507270    2.237688
 H   -1.155292   -0.435907    3.615014
 C   -2.496058   -0.123891    1.992934
 H   -3.187818   -0.806204    2.510788
 H   -2.784635    0.879897    2.351254
 C   -2.838164   -0.175523    0.516773
 C   -4.197117   -0.203252    0.167204
 C   -2.262152   -0.019828   -1.731980
 C   -4.579960   -0.130452   -1.167362
 H   -4.948015   -0.275098    0.956235
 C   -3.586535   -0.020207   -2.143295
 H   -1.454194    0.050955   -2.462568
 H   -5.636213   -0.154588   -1.443580
 H   -3.829079    0.051095   -3.204351
 N    0.013519    0.383478    2.050984
 N   -1.888504   -0.109175   -0.438069
Cu    0.097113   -0.089967   -0.102071
 C    1.284300   -0.070580    2.651174
 H    2.046856    0.688643    2.425690
 H    1.181348   -0.105169    3.754580
 C   -0.216635    1.811940    2.354026
 H   -0.862178    1.907886    3.246693
 H    0.745612    2.265285    2.630332
 C    1.795298   -1.436700    2.171975
 H    2.487512   -1.813682    2.937477
 H    0.971319   -2.164896    2.120180
 C   -0.817661    2.644774    1.208407
 H   -1.696307    2.143294    0.782769
 H   -1.174644    3.590843    1.640486
 C    2.511252   -1.452999    0.846783
 C    3.828230   -1.922215    0.755578
 C    2.447982   -1.142379   -1.457390
 C    4.459714   -1.993366   -0.484292
 H    4.346408   -2.239874    1.661812
 C    3.749984   -1.601184   -1.620031
 H    1.846538   -0.863607   -2.323564
 H    5.484936   -2.361191   -0.564027
 H    4.187831   -1.658340   -2.617626
 C    0.151441    2.962234    0.098120
 C    0.567656    4.280216   -0.133766
 C    1.466558    4.551701   -1.164037
 H    0.179882    5.086029    0.491994
 C    1.483525    2.208610   -1.642602
 C    1.936034    3.491277   -1.939982
 H    1.794574    5.575245   -1.358233
 H    1.836758    1.353453   -2.222487
 H    2.638663    3.649220   -2.759658
 N    0.615670    1.944672   -0.655280
 N    1.845666   -1.049865   -0.257473
 N   -0.602825   -2.853648    0.158454
 O   -1.730102   -3.121089    0.173711
 N   -0.281226   -2.588695   -1.730016
 O   -1.320354   -2.811673   -2.181026
