38
cp2zrallyl_Et_back_cc200.xyz
Zr      -0.2578   0.0189   0.4587
C        2.2486   0.1829  -0.3745
H        2.2319   1.2765  -0.4281
C        2.1850  -0.3868   0.8595
C        1.8057   0.3002   2.0559
C        2.6901  -0.5236  -1.5873
H        2.4142  -1.4580   0.9502
H        2.3358  -0.0713   2.9376
H        1.8597   1.3975   1.9956
H        2.1113  -0.2259  -2.4773
H        3.7434  -0.2590  -1.8024
H        2.6398  -1.6182  -1.4811
C       -0.6665  -2.4204   0.8149
C        0.2220  -2.3440  -0.2656
C       -0.4219  -1.6807  -1.3245
C       -1.7435  -1.4116  -0.9126
C       -1.8893  -1.8444   0.4105
H       -0.4627  -2.8826   1.7846
H        1.2305  -2.7583  -0.2943
H       -0.0041  -1.4905  -2.3137
H       -2.5354  -0.9857  -1.5284
H       -2.8046  -1.7875   0.9988
C        0.1820   2.4733   0.1131
C       -0.1323   1.9110  -1.1442
C       -1.4746   1.5134  -1.1060
C       -1.9792   1.7785   0.1814
C       -0.9550   2.3942   0.9222
H        1.1304   2.9404   0.3911
H        0.5205   1.8687  -2.0173
H       -2.0372   1.1120  -1.9481
H       -2.9967   1.5886   0.5260
H       -1.0341   2.7613   1.9471
C        0.1425  -0.0569   3.1076
C       -1.1903  -0.0147   2.6179
H        0.4847  -1.0276   3.4831
H        0.4487   0.7736   3.7537
H       -1.7645  -0.9383   2.7269
H       -1.7707   0.8883   2.8262
