52
tepa_CuNO4, electronic energy = -2803.05782442 a.u
 C   -0.904567   -2.570474    1.195817
 H   -0.500683   -3.149205    0.352428
 H   -0.860806   -3.228496    2.082703
 C   -2.369859   -2.273423    0.938974
 H   -2.866287   -3.253272    0.859646
 H   -2.829217   -1.805953    1.825485
 C   -2.738050   -1.471316   -0.282891
 C   -4.054629   -1.549526   -0.758444
 C   -2.214217    0.085288   -1.927825
 C   -4.446289   -0.779954   -1.849109
 H   -4.761403   -2.217454   -0.262508
 C   -3.503448    0.059200   -2.444190
 H   -1.433222    0.700784   -2.372497
 H   -5.468838   -0.834918   -2.228875
 H   -3.753058    0.684552   -3.302419
 N    0.031350   -1.436043    1.427246
 N   -1.835135   -0.666804   -0.872371
Cu    0.182204   -0.318242   -0.352353
 C    1.355747   -2.057801    1.746213
 H    1.938360   -1.336389    2.331110
 H    1.181961   -2.932755    2.394696
 C   -0.369759   -0.550561    2.559696
 H   -0.710887   -1.191425    3.393352
 H    0.544081   -0.048250    2.903457
 C    2.173067   -2.454695    0.513724
 H    2.872266   -3.259167    0.780529
 H    1.521837   -2.863430   -0.279348
 C   -1.430043    0.534468    2.308480
 H   -2.297110    0.131406    1.769006
 H   -1.809350    0.825269    3.298779
 C    2.938979   -1.266931   -0.000071
 C    4.292220   -1.319877   -0.322442
 C    2.877419    1.021664   -0.418657
 C    4.949809   -0.147408   -0.709624
 H    4.826516   -2.269257   -0.258174
 C    4.231761    1.045623   -0.741323
 H    2.284802    1.933462   -0.435689
 H    6.009764   -0.168594   -0.970797
 H    4.702571    1.988215   -1.023167
 C   -0.990545    1.789958    1.589936
 C   -1.266309    3.057425    2.118006
 C   -0.944316    4.194056    1.375150
 H   -1.739195    3.148933    3.097569
 C   -0.098815    2.746219   -0.334257
 C   -0.359765    4.038481    0.117076
 H   -1.155849    5.189556    1.771798
 H    0.359876    2.562727   -1.311462
 H   -0.107520    4.898080   -0.505752
 N   -0.395466    1.658594    0.392788
 N    2.246578   -0.109006   -0.060633
 N    0.649634    0.002775   -2.267581
 O    1.389800    0.849436   -2.759151
