37
cp2zr_Me_isoBu_Cs_PI21.xyz                        
Zr         0.785326 -0.005175 -0.001814
C          2.070201  1.885696  0.000919
C         -1.391364  1.544695  0.003676
C         -2.508065  0.769166  0.002992
H          3.162154  1.757878  0.004384
H          1.818674  2.474875 -0.896837
H          1.813254  2.474181  0.897620
C          0.785975  0.197992  2.542132
C          2.103481 -0.142646  2.153105
C          2.066528 -1.443607  1.588971
C          0.725493 -1.911002  1.641676
C         -0.060189 -0.899068  2.234726
H          0.488185  1.122763  3.030389
H          2.988452  0.468013  2.293850
H          2.925311 -2.017854  1.255573
H          0.379090 -2.893390  1.340771
H         -1.119539 -0.974385  2.455774
C          0.788714  0.196262 -2.542892
C          2.106217 -0.143453 -2.152775
C          2.069838 -1.444461 -1.588717
C          0.729187 -1.912634 -1.641947
C         -0.056996 -0.901289 -2.235683
H          0.490498  1.121078 -3.030739
H          2.990774  0.468113 -2.292161
H          2.928518 -2.017526 -1.253064
H          0.383115 -2.894727 -1.339656
H         -1.116441 -0.976832 -2.456224
H         -1.041528  1.991704 -0.931064
H         -1.041325  1.990226  0.938983
C         -3.192989  0.367931 -1.260375
H         -2.674385  0.717481 -2.157920
H         -3.335371 -0.721487 -1.306877
H         -4.205971  0.802888 -1.261773
C         -3.194790  0.366858  1.265160
H         -3.340285 -0.722082  1.309657
H         -2.676214  0.713568  2.163852
H         -4.206588  0.804694  1.266702
