104
tepa_CuNOdimmer_triplet, electronic energy = -5606.22329984 a.u
 C   -2.877071   -2.757668    0.805621
 H   -2.786967   -1.704414    0.505212
 H   -3.929151   -3.057132    0.646466
 C   -2.607392   -2.871219    2.295675
 H   -3.408482   -2.301612    2.793598
 H   -2.756059   -3.907672    2.641378
 C   -1.287903   -2.366985    2.823754
 C   -1.148186   -2.181111    4.208087
 C    0.915519   -1.725387    2.488469
 C    0.070142   -1.761599    4.729120
 H   -1.999700   -2.377142    4.862862
 C    1.126135   -1.524906    3.846486
 H    1.695734   -1.541223    1.749465
 H    0.194901   -1.621674    5.805173
 H    2.102736   -1.193535    4.201772
 N   -2.028208   -3.555433   -0.125089
 N   -0.263767   -2.141051    1.985202
Cu   -0.185484   -2.523916   -0.162784
 C   -2.681235   -3.496763   -1.464164
 H   -2.221035   -4.268710   -2.094484
 H   -3.743666   -3.773298   -1.342723
 C   -1.914580   -4.990730    0.263887
 H   -2.889341   -5.325917    0.661850
 H   -1.749188   -5.560606   -0.660011
 C   -2.572944   -2.151078   -2.189726
 H   -3.412080   -2.063584   -2.893258
 H   -2.654060   -1.301895   -1.492498
 C   -0.809559   -5.385505    1.252544
 H   -0.822826   -4.747384    2.145749
 H   -1.059290   -6.396823    1.604321
 C   -1.279150   -2.052970   -2.945031
 C   -1.231072   -1.725810   -4.304230
 C    1.024506   -2.348484   -2.895297
 C   -0.004513   -1.725819   -4.965381
 H   -2.154927   -1.488601   -4.834129
 C    1.148186   -2.049498   -4.248171
 H    1.898524   -2.581975   -2.290770
 H    0.050151   -1.487369   -6.029821
 H    2.129359   -2.074506   -4.724321
 C    0.603602   -5.408995    0.719070
 C    1.384289   -6.569318    0.800844
 C    2.716487   -6.532489    0.388344
 H    0.951186   -7.489749    1.196552
 C    2.399680   -4.223187   -0.150014
 C    3.243301   -5.329507   -0.085157
 H    3.337796   -7.428843    0.447639
 H    2.765744   -3.251520   -0.492830
 H    4.285810   -5.247426   -0.396589
 N    1.112753   -4.266929    0.223102
 N   -0.159371   -2.355746   -2.264510
Cu    0.185484    2.523916   -0.162784
 N    2.028208    3.555433   -0.125089
 C    2.877071    2.757668    0.805621
 C    2.681235    3.496763   -1.464164
 C    1.914580    4.990730    0.263887
 H    2.786967    1.704414    0.505212
 H    3.929151    3.057132    0.646466
 C    2.607392    2.871219    2.295675
 H    2.221035    4.268710   -2.094484
 H    3.743666    3.773298   -1.342723
 C    2.572944    2.151078   -2.189726
 H    2.889341    5.325917    0.661850
 H    1.749188    5.560606   -0.660011
 C    0.809559    5.385505    1.252544
 H    3.408482    2.301612    2.793598
 H    2.756059    3.907672    2.641378
 C    1.287903    2.366985    2.823754
 H    3.412080    2.063584   -2.893258
 H    2.654060    1.301895   -1.492498
 C    1.279150    2.052970   -2.945031
 H    0.822826    4.747384    2.145749
 H    1.059290    6.396823    1.604321
 C   -0.603602    5.408995    0.719070
 C    1.148186    2.181111    4.208087
 N    0.263767    2.141051    1.985202
 C    1.231072    1.725810   -4.304230
 N    0.159371    2.355746   -2.264510
 C   -1.384289    6.569318    0.800844
 N   -1.112753    4.266929    0.223102
 C   -0.070142    1.761599    4.729120
 H    1.999700    2.377142    4.862862
 C   -0.915519    1.725387    2.488469
 C    0.004513    1.725819   -4.965381
 H    2.154927    1.488601   -4.834129
 C   -1.024506    2.348484   -2.895297
 C   -2.716487    6.532489    0.388344
 H   -0.951186    7.489749    1.196552
 C   -2.399680    4.223187   -0.150014
 C   -1.126135    1.524906    3.846486
 H   -0.194901    1.621674    5.805173
 H   -1.695734    1.541223    1.749465
 C   -1.148186    2.049498   -4.248171
 H   -0.050151    1.487369   -6.029821
 H   -1.898524    2.581975   -2.290770
 C   -3.243301    5.329507   -0.085157
 H   -3.337796    7.428843    0.447639
 H   -2.765744    3.251520   -0.492830
 H   -2.102736    1.193535    4.201772
 H   -2.129359    2.074506   -4.724321
 H   -4.285810    5.247426   -0.396589
 O   -1.240679    1.136993   -0.277471
 O    1.240679   -1.136993   -0.277471
 N   -0.627937   -0.036505   -0.292771
 N    0.627937    0.036505   -0.292771
