101
tepa_CuOdimmer, electronic energy = -5421.65695556 a.u
 C   -1.423577   -1.145086    2.567868
 H   -0.464061   -0.829297    2.136952
 H   -1.314071   -1.192911    3.670554
 C   -1.709139   -2.568714    2.104713
 H   -0.935862   -3.197626    2.572185
 H   -2.653232   -2.935634    2.540990
 C   -1.713996   -2.914644    0.632209
 C   -1.677588   -4.274498    0.277756
 C   -1.857194   -2.331957   -1.613220
 C   -1.740781   -4.652829   -1.057617
 H   -1.608685   -5.026679    1.065677
 C   -1.830652   -3.655026   -2.033043
 H   -1.936970   -1.520482   -2.339343
 H   -1.724500   -5.708492   -1.337372
 H   -1.891937   -3.895687   -3.095567
 N   -2.406188   -0.094555    2.228625
 N   -1.805017   -1.972529   -0.319063
Cu   -1.870954    0.077956   -0.018583
 C   -2.016581    1.148433    2.923166
 H   -2.893786    1.808287    2.966462
 H   -1.743536    0.921181    3.972361
 C   -3.799334   -0.448800    2.548561
 H   -3.844087   -1.043738    3.481598
 H   -4.342674    0.482306    2.759864
 C   -0.862079    1.907916    2.253749
 H   -0.373947    2.540816    3.007425
 H   -0.126674    1.200054    1.842992
 C   -4.574591   -1.196534    1.456698
 H   -4.042529   -2.104727    1.145929
 H   -5.511867   -1.542152    1.915674
 C   -1.326301    2.772952    1.120279
 C   -1.321496    4.170020    1.229812
 C   -2.195830    2.932062   -1.025645
 C   -1.770456    4.956158    0.172536
 H   -0.962084    4.629256    2.151632
 C   -2.207449    4.322226   -0.990627
 H   -2.530549    2.410338   -1.920238
 H   -1.773221    6.045500    0.251383
 H   -2.557804    4.887120   -1.855716
 C   -4.930440   -0.430212    0.207066
 C   -6.277552   -0.242744   -0.136567
 C   -6.614737    0.333447   -1.359373
 H   -7.056997   -0.572286    0.552480
 C   -4.276756    0.502587   -1.812705
 C   -5.588198    0.693335   -2.233921
 H   -7.661693    0.477883   -1.634740
 H   -3.447762    0.758535   -2.477101
 H   -5.795159    1.110601   -3.220518
 N   -3.946974   -0.011296   -0.617003
 N   -1.784359    2.172269    0.000961
Cu    1.870919    0.077938    0.018556
 N    2.406247   -0.094625   -2.228633
 C    1.423659   -1.145158   -2.567925
 C    2.016709    1.148364   -2.923207
 C    3.799409   -0.448880   -2.548498
 H    0.464117   -0.829363   -2.137077
 H    1.314238   -1.193008   -3.670619
 C    1.709195   -2.568774   -2.104717
 H    2.893931    1.808199   -2.966437
 H    1.743737    0.921115   -3.972423
 C    0.862184    1.907878   -2.253872
 H    3.844199   -1.043855   -3.481509
 H    4.342755    0.482219   -2.759818
 C    4.574622   -1.196566   -1.456571
 H    0.935953   -3.197707   -2.572219
 H    2.653319   -2.935697   -2.540927
 C    1.713962   -2.914670   -0.632203
 H    0.374118    2.540779   -3.007589
 H    0.126741    1.200031   -1.843159
 C    1.326344    2.772922   -1.120378
 H    4.042538   -2.104735   -1.145773
 H    5.511910   -1.542222   -1.915496
 C    4.930446   -0.430184   -0.206967
 C    1.677556   -4.274515   -0.277720
 N    1.805014   -1.972538    0.319050
 C    1.321528    4.169991   -1.229905
 N    1.784326    2.172241   -0.001030
 C    6.277553   -0.242689    0.136669
 N    3.946969   -0.011255    0.617085
 C    1.740753   -4.652814    1.057663
 H    1.608660   -5.026713   -1.065625
 C    1.857206   -2.331932    1.613215
 C    1.770388    4.956130   -0.172588
 H    0.962179    4.629225   -2.151750
 C    2.195689    2.932034    1.025620
 C    6.614726    0.333558    1.359452
 H    7.057006   -0.572252   -0.552360
 C    4.276741    0.502681    1.812768
 C    1.830650   -3.654992    2.033066
 H    1.724471   -5.708472    1.337440
 H    1.936997   -1.520440    2.339318
 C    2.207287    4.322199    0.990612
 H    1.773139    6.045472   -0.251428
 H    2.530323    2.410312    1.920245
 C    5.588178    0.693470    2.233979
 H    7.661678    0.478021    1.634816
 H    3.447744    0.758639    2.477154
 H    1.891946   -3.895629    3.095594
 H    2.557556    4.887093    1.855735
 H    5.795128    1.110779    3.220560
 O   -0.000022    0.028033   -0.000064
