43
cp2zr_me_C2Me4_allyl_free.xyz                     
Zr        -0.002981 -2.382504 -0.488177
C          0.388229  0.815802  0.685225
C         -1.342385 -1.736904 -2.668918
C         -1.072476 -3.109012 -2.896695
H          0.588644  0.339486  1.646432
H          1.243965  1.426317  0.382552
H         -0.511598  1.436152  0.751280
C         -2.456397 -2.433374  0.292969
C         -1.743244 -1.743232  1.293057
C         -0.809578 -2.636428  1.872092
C         -0.989828 -3.906063  1.253706
C         -1.988037 -3.777365  0.266187
H         -3.274490 -2.026265 -0.288188
H         -1.898074 -0.707955  1.583557
H         -0.152879 -2.423479  2.708470
H         -0.488876 -4.829786  1.527492
H         -2.375753 -4.584174 -0.344835
C          2.272665 -2.867494 -1.616080
C          2.472333 -1.768478 -0.753001
C          2.277525 -2.219258  0.579762
C          1.968904 -3.597705  0.531260
C          1.933794 -3.996205 -0.828523
H          2.412564 -2.861834 -2.689898
H          2.774950 -0.768432 -1.052620
H          2.418659 -1.629351  1.480454
H          1.840178 -4.243767  1.392134
H          1.760263 -5.004998 -1.190354
C         -0.312813 -0.818857 -2.395160
H          0.220162  0.076956 -0.115834
H          0.685602 -0.991285 -2.800713
H         -0.578653  0.232623 -2.284885
C         -2.745170 -1.188840 -2.663771
H         -3.522929 -1.924288 -2.449091
H         -2.852346 -0.327904 -1.993217
H         -2.928648 -0.825133 -3.689745
C          0.074214 -3.522463 -3.806600
H          0.800148 -2.724322 -3.980275
H          0.594785 -4.427529 -3.469641
H         -0.367929 -3.766382 -4.788979
C         -2.224113 -4.082967 -3.025173
H         -1.874362 -5.115680 -2.892288
H         -3.044870 -3.905673 -2.324059
H         -2.647938 -4.024422 -4.043200
