38
cp2zrallyl_Et_back_cc180.xyz
Zr      -0.2817   0.0298   0.4463
C        2.3115   0.2234  -0.2810
H        2.3163   1.3202  -0.2854
C        2.1570  -0.3975   0.9093
C        1.8328   0.2780   2.1594
C        2.7308  -0.4448  -1.5212
H        2.3268  -1.4839   0.9621
H        2.5624  -0.0052   2.9333
H        1.8214   1.3779   2.0745
H        2.1369  -0.1186  -2.3911
H        3.7800  -0.1742  -1.7459
H        2.6793  -1.5413  -1.4462
C       -0.6421  -2.4261   0.8184
C        0.1425  -2.3194  -0.3409
C       -0.6044  -1.6459  -1.3198
C       -1.8795  -1.3803  -0.7741
C       -1.8986  -1.8520   0.5458
H       -0.3476  -2.9098   1.7536
H        1.1478  -2.7210  -0.4742
H       -0.2830  -1.4307  -2.3398
H       -2.7227  -0.9311  -1.3004
H       -2.7526  -1.8146   1.2214
C        0.0979   2.4892   0.1881
C       -0.0083   1.9499  -1.1153
C       -1.3139   1.4829  -1.2808
C       -2.0183   1.7107  -0.0787
C       -1.1496   2.3577   0.8135
H        0.9721   2.9955   0.6068
H        0.7667   1.9500  -1.8837
H       -1.7207   1.0477  -2.1934
H       -3.0669   1.4719   0.1101
H       -1.4084   2.7188   1.8082
C        0.3814  -0.2551   3.0810
C       -0.9891   0.0330   2.6182
H        0.5908  -1.3241   3.2366
H        0.6326   0.2967   3.9991
H       -1.6838  -0.7828   2.8497
H       -1.3829   0.9803   3.0045
