54
tepa_CuNO-NO_triplet, electronic energy = -2932.90000691 a.u
 C   -1.086947   -1.741280    2.229730
 H   -0.610813   -2.572439    1.688942
 H   -1.118516   -2.036013    3.296595
 C   -2.531373   -1.616467    1.770462
 H   -3.018399   -2.563772    2.051154
 H   -3.058816   -0.854014    2.367632
 C   -2.826467   -1.372974    0.309451
 C   -4.122239   -1.640475   -0.160312
 C   -2.199850   -0.626073   -1.799412
 C   -4.448123   -1.381990   -1.486802
 H   -4.864429   -2.052170    0.526374
 C   -3.462632   -0.857970   -2.327076
 H   -1.399391   -0.230872   -2.426103
 H   -5.452753   -1.588620   -1.862040
 H   -3.662013   -0.637526   -3.376670
 N   -0.192077   -0.564226    2.099847
 N   -1.885692   -0.877376   -0.511997
Cu    0.088644   -0.283918   -0.042886
 C    1.110828   -0.949275    2.706061
 H    1.641562   -0.030433    2.986669
 H    0.924009   -1.505805    3.642320
 C   -0.716634    0.654046    2.763340
 H   -1.201427    0.371769    3.717396
 H    0.148276    1.276542    3.029936
 C    2.019186   -1.771479    1.779760
 H    2.689784   -2.394387    2.387277
 H    1.433650   -2.465468    1.153820
 C   -1.691821    1.532533    1.961821
 H   -2.496247    0.928671    1.521825
 H   -2.180890    2.195588    2.689972
 C    2.838955   -0.872638    0.895555
 C    4.234464   -0.942679    0.845115
 C    2.839803    0.935425   -0.563938
 C    4.938545   -0.036684    0.053241
 H    4.757298   -1.705075    1.424761
 C    4.227592    0.931444   -0.658171
 H    2.247134    1.663049   -1.117588
 H    6.028203   -0.082361   -0.003956
 H    4.733652    1.666139   -1.285844
 C   -1.121689    2.395792    0.859845
 C   -1.300370    3.785548    0.874298
 C   -0.875472    4.547716   -0.214087
 H   -1.785134    4.260997    1.728880
 C   -0.127597    2.519565   -1.238213
 C   -0.291490    3.901125   -1.304567
 H   -1.013123    5.631280   -0.216334
 H    0.314608    1.959737   -2.068927
 H    0.030902    4.451007   -2.190134
 N   -0.512790    1.793136   -0.178034
 N    2.164577    0.055133    0.189545
 N    0.753571   -1.393976   -1.616417
 O    1.293419   -2.475520   -1.537013
 N    0.934366   -0.579399   -2.878452
 O    1.590143   -1.130044   -3.704276
