43
cp2zr_me_C2Me4_allyl160.xyz                       
Zr        -0.020762 -2.264632 -0.379615
C         -0.040274  0.038698  0.028727
C         -1.206589 -1.685375 -2.690736
C         -1.020512 -2.996620 -3.099930
H          0.107250  0.194685  1.113096
H          0.752292  0.677681 -0.398657
H         -1.024433  0.484921 -0.181045
C         -2.424141 -2.344933  0.537090
C         -1.602718 -1.854744  1.577368
C         -0.711929 -2.885875  1.955713
C         -1.002407 -4.028709  1.160132
C         -2.056364 -3.692874  0.287927
H         -3.239793 -1.802408  0.071786
H         -1.665049 -0.871899  2.029045
H          0.014184 -2.835593  2.762292
H         -0.539507 -5.006015  1.245502
H         -2.532125 -4.378634 -0.403594
C          2.159928 -2.999337 -1.591735
C          2.496631 -1.848295 -0.845197
C          2.354803 -2.162048  0.527069
C          1.950630 -3.519093  0.622133
C          1.803333 -4.030068 -0.686271
H          2.256381 -3.111549 -2.663593
H          2.848913 -0.906046 -1.255400
H          2.580483 -1.502763  1.358828
H          1.833408 -4.089406  1.536824
H          1.543957 -5.054157 -0.942252
C         -0.170679 -0.563789 -2.642581
H         -0.032719  0.017361 -1.571158
H          0.809187 -0.868296 -3.031193
H         -0.544652  0.243436 -3.296585
C         -2.618173 -1.168303 -2.515014
H         -3.339457 -1.917751 -2.180707
H         -2.666082 -0.297626 -1.853171
H         -2.951441 -0.840072 -3.516115
C          0.133478 -3.535276 -3.906582
H          0.905324 -2.802877 -4.147416
H          0.584762 -4.428093 -3.453375
H         -0.293729 -3.884688 -4.862850
C         -2.147877 -4.006239 -3.105984
H         -1.758334 -5.008633 -2.876357
H         -2.969913 -3.791062 -2.422617
H         -2.576715 -4.073309 -4.119788
