52
tepa_CuCO, electronic energy = -2786.54576633 a.u
 C   -1.336800   -1.435467    2.056602
 H   -1.015011   -2.349418    1.537795
 H   -1.362027   -1.676106    3.137593
 C   -2.774971   -1.109420    1.653111
 H   -3.400601   -1.903392    2.087881
 H   -3.108654   -0.188425    2.161785
 C   -3.133828   -0.992475    0.190127
 C   -4.424234   -1.345150   -0.234387
 C   -2.595365   -0.295453   -1.957176
 C   -4.792086   -1.151836   -1.563172
 H   -5.132278   -1.764011    0.483159
 C   -3.858339   -0.605746   -2.447622
 H   -1.829815    0.127204   -2.613797
 H   -5.793517   -1.422027   -1.905269
 H   -4.099574   -0.428783   -3.496812
 N   -0.294448   -0.397671    1.839842
 N   -2.238223   -0.487823   -0.675465
Cu   -0.126413   -0.220633   -0.282591
 C    0.968642   -0.857199    2.489656
 H    1.638751    0.007974    2.534065
 H    0.732536   -1.165021    3.525133
 C   -0.683273    0.902175    2.452885
 H   -1.333739    0.718573    3.326708
 H    0.228156    1.370082    2.846762
 C    1.722662   -1.975115    1.780062
 H    2.303400   -2.525598    2.539423
 H    1.039728   -2.725937    1.350249
 C   -1.363536    1.920514    1.521457
 H   -2.181085    1.452573    0.956806
 H   -1.817696    2.693685    2.157777
 C    2.691227   -1.500171    0.711311
 C    3.437043   -2.431806   -0.027368
 C    3.667348    0.256081   -0.416656
 C    4.321353   -1.972103   -1.000214
 H    3.318622   -3.501520    0.160161
 C    4.442867   -0.594084   -1.204628
 H    3.735658    1.342654   -0.537806
 H    4.910254   -2.676999   -1.591386
 H    5.127622   -0.188674   -1.951706
 C   -0.423576    2.586833    0.549932
 C   -0.138226    3.955394    0.626574
 C    0.738693    4.529551   -0.292832
 H   -0.607880    4.562440    1.402416
 C    0.992966    2.365127   -1.280841
 C    1.316433    3.718343   -1.271355
 H    0.967001    5.596652   -0.247188
 H    1.428173    1.690974   -2.021990
 H    2.004722    4.122921   -2.014986
 N    0.146744    1.814422   -0.396275
 N    2.809939   -0.183695    0.510292
 O    1.042845   -1.969589   -2.412761
 C    0.658731   -1.339891   -1.548519
