38
cp2zrallyl_Et_back_cc210.xyz
Zr      -0.2472   0.0372   0.4640
C        2.3095   0.1635  -0.2330
H        2.2877   1.2570  -0.2025
C        2.1591  -0.5013   0.9471
C        1.6589   0.0777   2.1471
C        2.8962  -0.4379  -1.4423
H        2.3794  -1.5785   0.9527
H        1.9970  -0.4416   3.0462
H        1.7840   1.1689   2.2254
H        2.3126  -0.2219  -2.3535
H        3.9018  -0.0083  -1.6121
H        3.0204  -1.5283  -1.3478
C       -0.1196  -2.4698   0.5200
C        0.1530  -2.0727  -0.8073
C       -1.0017  -1.4860  -1.3300
C       -1.9975  -1.5071  -0.3274
C       -1.4551  -2.1442   0.7977
H        0.5574  -3.0100   1.1868
H        1.0838  -2.2297  -1.3525
H       -1.1171  -1.1157  -2.3487
H       -3.0238  -1.1512  -0.4311
H       -1.9845  -2.3775   1.7221
C        0.2754   2.4608  -0.0708
C       -0.0900   1.7981  -1.2657
C       -1.4510   1.4658  -1.1616
C       -1.9032   1.8465   0.1115
C       -0.8314   2.4836   0.7731
H        1.2417   2.9221   0.1455
H        0.5379   1.6627  -2.1476
H       -2.0614   1.0082  -1.9412
H       -2.9181   1.7338   0.4943
H       -0.8632   2.9370   1.7658
C       -0.1976  -0.1522   3.1014
C       -1.4291   0.2130   2.5584
H       -0.0346  -1.2085   3.3436
H        0.2645   0.5421   3.8076
H       -2.2176  -0.5366   2.4689
H       -1.7864   1.2298   2.7352
