52
tepa_CuOO3_PCM, electronic energy = -2823.57804870 a.u
 C    1.477291   -1.601820    2.022463
 H    1.955542   -0.680253    2.377070
 H    1.472768   -2.300143    2.880959
 C    2.334321   -2.184805    0.887293
 H    3.131814   -2.797273    1.329755
 H    1.734380   -2.868240    0.265515
 C    2.969887   -1.125344    0.025283
 C    4.362335   -1.038665   -0.090396
 C    2.717112    0.757681   -1.310770
 C    4.933405   -0.017884   -0.848500
 H    4.989858   -1.773425    0.416753
 C    4.091335    0.905727   -1.467980
 H    2.029638    1.454699   -1.792630
 H    6.018292    0.057212   -0.949401
 H    4.485012    1.727000   -2.068529
 N    0.090411   -1.305218    1.618860
 N    2.165308   -0.235138   -0.592693
Cu    0.121735   -0.205028   -0.341874
 C   -0.579072   -0.393917    2.574792
 H   -1.634557   -0.321276    2.274921
 H   -0.564618   -0.852287    3.583382
 C   -0.676922   -2.578171    1.499100
 H   -0.052034   -3.410239    1.858648
 H   -1.544229   -2.541321    2.176160
 C    0.007373    1.021817    2.691536
 H   -0.251534    1.394670    3.692317
 H    1.108469    0.982870    2.673136
 C   -1.168486   -2.925899    0.087360
 H   -0.320881   -2.907040   -0.616851
 H   -1.553229   -3.956063    0.107055
 C   -0.434650    2.057866    1.686012
 C   -0.977600    3.274255    2.123124
 C   -0.547657    2.771590   -0.518313
 C   -1.302862    4.261638    1.194281
 H   -1.132239    3.444407    3.190100
 C   -1.073165    4.010331   -0.158740
 H   -0.360061    2.532202   -1.568148
 H   -1.722447    5.214821    1.523523
 H   -1.296317    4.753917   -0.925459
 C   -2.238061   -1.998727   -0.413170
 C   -3.571294   -2.400854   -0.551325
 C   -4.519913   -1.485113   -1.004946
 H   -3.854085   -3.427574   -0.312652
 C   -2.767198    0.141212   -1.138977
 C   -4.109437   -0.185393   -1.307295
 H   -5.563659   -1.783029   -1.126061
 H   -2.405891    1.144686   -1.369902
 H   -4.812294    0.564375   -1.673483
 N   -1.855797   -0.739601   -0.699783
 N   -0.242512    1.816168    0.375470
 O    0.222081    1.035214   -3.207372
 O    0.021627   -0.041901   -2.646355
