38
cp2zrallyl_Et_back_cc250.xyz
Zr      -0.2050   0.0309   0.4770
C        2.2898   0.1707  -0.3407
H        2.2998   1.2635  -0.2755
C        2.2314  -0.5163   0.8483
C        1.7354   0.0191   2.0382
C        2.8322  -0.4027  -1.5872
H        2.4535  -1.5931   0.8195
H        1.8476  -0.5812   2.9416
H        1.8200   1.1044   2.1899
H        2.2101  -0.1789  -2.4709
H        3.8292   0.0313  -1.7925
H        2.9653  -1.4946  -1.5191
C       -0.0858  -2.4694   0.5628
C        0.1732  -2.0899  -0.7721
C       -0.9864  -1.5039  -1.2894
C       -1.9726  -1.5146  -0.2779
C       -1.4177  -2.1357   0.8500
H        0.5995  -2.9952   1.2323
H        1.0955  -2.2595  -1.3277
H       -1.1144  -1.1501  -2.3127
H       -3.0006  -1.1633  -0.3789
H       -1.9359  -2.3488   1.7869
C        0.2885   2.4735  -0.0031
C       -0.0343   1.8254  -1.2203
C       -1.3907   1.4690  -1.1615
C       -1.8857   1.8207   0.1032
C       -0.8424   2.4690   0.8055
H        1.2448   2.9350   0.2541
H        0.6201   1.7170  -2.0863
H       -1.9710   1.0166  -1.9670
H       -2.9153   1.7027   0.4425
H       -0.9088   2.9143   1.8002
C       -0.5102  -0.1291   3.1269
C       -1.6903   0.2870   2.6077
H       -0.2988  -1.1948   3.2592
H        0.1087   0.5635   3.6994
H       -2.4712  -0.4182   2.3100
H       -2.0044   1.3264   2.7226
