104
tepa_CuNOdimmer, electronic energy = -5606.20275272 a.u
 C   -2.947679   -2.878864    0.583472
 H   -2.912655   -1.821659    0.286830
 H   -3.983368   -3.232741    0.407504
 C   -2.713742   -2.970842    2.086955
 H   -3.550614   -2.426357    2.553777
 H   -2.844350   -4.009419    2.433463
 C   -1.440803   -2.432043    2.703344
 C   -1.385490   -2.325787    4.104348
 C    0.746316   -1.640408    2.553079
 C   -0.225787   -1.879388    4.725683
 H   -2.260012   -2.608692    4.693827
 C    0.866062   -1.521904    3.929615
 H    1.559522   -1.350681    1.886157
 H   -0.173764   -1.806865    5.814319
 H    1.795623   -1.153488    4.364977
 N   -2.030437   -3.629605   -0.305842
 N   -0.375456   -2.098134    1.955656
Cu   -0.171151   -2.437650   -0.072824
 C   -2.519982   -3.504169   -1.696151
 H   -2.031498   -4.281506   -2.299313
 H   -3.606268   -3.715812   -1.726104
 C   -1.906752   -5.059509    0.053100
 H   -2.878408   -5.440167    0.421840
 H   -1.694304   -5.617340   -0.869032
 C   -2.256659   -2.142464   -2.354345
 H   -2.976833   -2.016686   -3.174441
 H   -2.441330   -1.317147   -1.649902
 C   -0.817616   -5.422511    1.073005
 H   -0.914207   -4.819723    1.985559
 H   -1.008528   -6.461201    1.378892
 C   -0.868834   -2.019655   -2.921296
 C   -0.670054   -1.817131   -4.292405
 C    1.432715   -2.040022   -2.573825
 C    0.622424   -1.723149   -4.803148
 H   -1.536847   -1.737462   -4.950026
 C    1.698638   -1.834765   -3.923714
 H    2.245800   -2.118858   -1.857730
 H    0.786513   -1.568838   -5.871950
 H    2.731329   -1.769397   -4.269323
 C    0.617379   -5.329889    0.613093
 C    1.432715   -6.469515    0.584164
 C    2.786955   -6.346094    0.275191
 H    1.005606   -7.445320    0.822099
 C    2.430401   -3.993901    0.045915
 C    3.305917   -5.075585    0.019608
 H    3.431585   -7.227524    0.253337
 H    2.792688   -2.976726   -0.127980
 H    4.365205   -4.923093   -0.192856
 N    1.121299   -4.117692    0.307468
 N    0.184939   -2.137579   -2.083117
Cu    0.171151    2.437650   -0.072824
 N    2.030437    3.629605   -0.305842
 C    2.947679    2.878864    0.583472
 C    2.519982    3.504169   -1.696151
 C    1.906752    5.059509    0.053100
 H    2.912655    1.821659    0.286830
 H    3.983368    3.232741    0.407504
 C    2.713742    2.970842    2.086955
 H    2.031498    4.281506   -2.299313
 H    3.606268    3.715812   -1.726104
 C    2.256659    2.142464   -2.354345
 H    2.878408    5.440167    0.421840
 H    1.694304    5.617340   -0.869032
 C    0.817616    5.422511    1.073005
 H    3.550614    2.426357    2.553777
 H    2.844350    4.009419    2.433463
 C    1.440803    2.432043    2.703344
 H    2.976833    2.016686   -3.174441
 H    2.441330    1.317147   -1.649902
 C    0.868834    2.019655   -2.921296
 H    0.914207    4.819723    1.985559
 H    1.008528    6.461201    1.378892
 C   -0.617379    5.329889    0.613093
 C    1.385490    2.325787    4.104348
 N    0.375456    2.098134    1.955656
 C    0.670054    1.817131   -4.292405
 N   -0.184939    2.137579   -2.083117
 C   -1.432715    6.469515    0.584164
 N   -1.121299    4.117692    0.307468
 C    0.225787    1.879388    4.725683
 H    2.260012    2.608692    4.693827
 C   -0.746316    1.640408    2.553079
 C   -0.622424    1.723149   -4.803148
 H    1.536847    1.737462   -4.950026
 C   -1.432715    2.040022   -2.573825
 C   -2.786955    6.346094    0.275191
 H   -1.005606    7.445320    0.822099
 C   -2.430401    3.993901    0.045915
 C   -0.866062    1.521904    3.929615
 H    0.173764    1.806865    5.814319
 H   -1.559522    1.350681    1.886157
 C   -1.698638    1.834765   -3.923714
 H   -0.786513    1.568838   -5.871950
 H   -2.245800    2.118858   -1.857730
 C   -3.305917    5.075585    0.019608
 H   -3.431585    7.227524    0.253337
 H   -2.792688    2.976726   -0.127980
 H   -1.795623    1.153488    4.364977
 H   -2.731329    1.769397   -4.269323
 H   -4.365205    4.923093   -0.192856
 O   -1.672306    0.257849   -0.126892
 O    1.672306   -0.257849   -0.126892
 N   -0.553775   -0.303699   -0.145741
 N    0.553775    0.303699   -0.145741
