38
cp2zrallyl_Et_back_cc240.xyz
Zr      -0.2136   0.0315   0.4740
C        2.2928   0.1710  -0.3143
H        2.2944   1.2636  -0.2512
C        2.2148  -0.5172   0.8705
C        1.7065   0.0181   2.0608
C        2.8484  -0.4021  -1.5546
H        2.4399  -1.5933   0.8431
H        1.8534  -0.5761   2.9630
H        1.8039   1.1032   2.2089
H        2.2379  -0.1744  -2.4455
H        3.8488   0.0301  -1.7462
H        2.9774  -1.4945  -1.4866
C       -0.0862  -2.4710   0.5489
C        0.1660  -2.0837  -0.7853
C       -0.9979  -1.5002  -1.2947
C       -1.9787  -1.5161  -0.2782
C       -1.4169  -2.1415   0.8443
H        0.6028  -2.9990   1.2128
H        1.0866  -2.2472  -1.3455
H       -1.1313  -1.1437  -2.3162
H       -3.0075  -1.1650  -0.3714
H       -1.9292  -2.3602   1.7830
C        0.2874   2.4724  -0.0194
C       -0.0445   1.8200  -1.2314
C       -1.4022   1.4690  -1.1626
C       -1.8879   1.8268   0.1036
C       -0.8380   2.4734   0.7970
H        1.2457   2.9348   0.2283
H        0.6037   1.7058  -2.1012
H       -1.9895   1.0162  -1.9630
H       -2.9147   1.7106   0.4520
H       -0.8975   2.9221   1.7906
C       -0.4442  -0.1262   3.1161
C       -1.6359   0.2761   2.5983
H       -0.2417  -1.1895   3.2777
H        0.1505   0.5725   3.7067
H       -2.4181  -0.4403   2.3343
H       -1.9601   1.3115   2.7170
