101
tepa_CuOdimmer_triplet, electronic energy = -5421.68873824 a.u
 C   -1.509631   -2.230796    2.529139
 H   -0.612567   -1.640208    2.743559
 H   -1.805913   -2.712383    3.482954
 C   -1.137028   -3.368490    1.586588
 H   -0.398698   -3.976598    2.130834
 H   -1.999505   -4.045036    1.457150
 C   -0.568762   -3.108713    0.211406
 C    0.158167   -4.144911   -0.402569
 C   -0.443144   -1.857076   -1.742585
 C    0.554958   -4.029355   -1.728595
 H    0.379685   -5.049262    0.166449
 C    0.228451   -2.861695   -2.425604
 H   -0.700551   -0.919429   -2.237754
 H    1.095717   -4.841957   -2.218828
 H    0.483085   -2.736730   -3.479166
 N   -2.560529   -1.274130    2.134900
 N   -0.830877   -1.975969   -0.460636
Cu   -1.633560   -0.198335    0.313487
 C   -2.695716   -0.309747    3.254161
 H   -3.708493    0.113141    3.225892
 H   -2.611254   -0.846094    4.217478
 C   -3.858575   -1.906774    1.833039
 H   -4.049762   -2.739012    2.538655
 H   -4.642782   -1.160797    2.021071
 C   -1.678876    0.843768    3.210280
 H   -1.502614    1.214364    4.229139
 H   -0.716726    0.505594    2.794706
 C   -4.054913   -2.435393    0.403571
 H   -3.218216   -3.080424    0.104105
 H   -4.938191   -3.089241    0.428519
 C   -2.203492    1.960851    2.355659
 C   -2.462893    3.230595    2.885878
 C   -3.153773    2.579741    0.335158
 C   -3.087426    4.196683    2.097983
 H   -2.194439    3.444204    3.921837
 C   -3.461645    3.856776    0.797381
 H   -3.427742    2.285724   -0.677496
 H   -3.300012    5.189541    2.500567
 H   -3.985034    4.562355    0.150104
 C   -4.263981   -1.426220   -0.698993
 C   -5.412688   -1.485801   -1.502270
 C   -5.542118   -0.636599   -2.599302
 H   -6.193283   -2.212315   -1.270544
 C   -3.411025    0.280913   -2.028679
 C   -4.507330    0.257440   -2.883557
 H   -6.431376   -0.681733   -3.231824
 H   -2.580783    0.969561   -2.209627
 H   -4.548191    0.924930   -3.745583
 N   -3.299067   -0.520844   -0.955612
 N   -2.520138    1.662008    1.077782
Cu    1.620082    0.354551   -0.398880
 N    3.351894    0.168819   -1.767334
 C    3.448334   -1.281256   -2.088588
 C    3.103675    0.874931   -3.052146
 C    4.633505    0.712560   -1.229546
 H    2.444639   -1.624122   -2.363048
 H    4.084871   -1.394709   -2.986606
 C    4.003243   -2.226398   -1.038832
 H    3.197124    1.953264   -2.866410
 H    3.905761    0.601283   -3.762318
 C    1.739829    0.612172   -3.699715
 H    5.471165    0.209051   -1.745693
 H    4.685599    1.768089   -1.528017
 C    4.867319    0.657064    0.283231
 H    4.057771   -3.218918   -1.514610
 H    5.052903   -1.975798   -0.810435
 C    3.263429   -2.365931    0.265410
 H    1.827966    0.773206   -4.782515
 H    1.434569   -0.436634   -3.572014
 C    0.700865    1.542366   -3.145487
 H    4.660518   -0.341326    0.689260
 H    5.941377    0.830876    0.441532
 C    4.096149    1.672223    1.089459
 C    3.609542   -3.422337    1.122952
 N    2.351770   -1.448618    0.625335
 C   -0.027013    2.404222   -3.974083
 N    0.567316    1.579925   -1.805722
 C    4.751277    2.553744    1.959172
 N    2.757503    1.680005    0.972285
 C    3.041721   -3.496998    2.390643
 H    4.341830   -4.162482    0.794148
 C    1.811511   -1.511519    1.856057
 C   -0.868057    3.357844   -3.401231
 H    0.094165    2.342493   -5.056890
 C   -0.244522    2.495195   -1.250751
 C    4.000285    3.443826    2.727003
 H    5.839955    2.534745    2.035321
 C    2.031725    2.518618    1.725300
 C    2.132828   -2.506366    2.771826
 H    3.315055   -4.303914    3.074441
 H    1.083641   -0.717105    2.041419
 C   -0.964147    3.414826   -2.010238
 H   -1.423405    4.056200   -4.031508
 H   -0.319710    2.435077   -0.166082
 C    2.608889    3.421846    2.614652
 H    4.495526    4.139127    3.408470
 H    0.949201    2.418608    1.614705
 H    1.680707   -2.502479    3.765244
 H   -1.586538    4.158252   -1.512417
 H    1.980593    4.089409    3.206591
 O    0.085557    0.450748    0.736946
