46
cp2zr_Me_23diMe_2Pen_PI23.xyz                     
Zr         0.097474 -0.043844 -0.002989
C          2.378253 -0.262416 -0.002017
C          0.510234  3.015882 -0.001817
C         -0.857671  3.124931 -0.019169
H          2.801863 -1.276382  0.004961
H          2.765985  0.240641 -0.903321
H          2.764515  0.251619  0.893754
C          0.263098  0.000265  2.544848
C          0.664719 -1.291768  2.127964
C         -0.460072 -1.929389  1.548227
C         -1.560490 -1.032117  1.613867
C         -1.113056  0.152614  2.236487
H          0.892998  0.722412  3.056051
H          1.645819 -1.731454  2.266511
H         -0.497905 -2.956026  1.198786
H         -2.578031 -1.244932  1.306167
H         -1.733009  1.010609  2.470698
C          0.260342 -0.012740 -2.550368
C          0.665489 -1.301684 -2.126973
C         -0.457410 -1.939267 -1.543558
C         -1.560383 -1.045538 -1.613675
C         -1.116510  0.136871 -2.242819
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H         -0.492309 -2.964132 -1.188225
H         -2.577364 -1.259198 -1.304897
H         -1.740647  0.989575 -2.483570
C          1.354436  3.155548 -1.247269
H          2.274686  2.562862 -1.181642
H          0.836990  2.909977 -2.177670
H          1.671264  4.210788 -1.326522
C          1.331383  3.165418  1.258172
H          0.792396  2.945499  2.182970
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H          1.671149  4.214099  1.323751
C         -1.640835  3.350739 -1.283249
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H         -1.846869  4.429997 -1.375926
C         -1.673494  3.380811  1.227509
H         -2.602927  2.792171  1.190155
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C         -2.046769  4.871631  1.361307
H         -1.156286  5.509265  1.269710
H         -2.772507  5.180055  0.598551
H         -2.499012  5.055695  2.344783
