38
cp2zrallyl_Et_back_cc190.xyz
Zr      -0.2707   0.0226   0.4494
C        2.2767   0.1908  -0.3244
H        2.2611   1.2850  -0.3758
C        2.1654  -0.3852   0.8981
C        1.7976   0.3130   2.1073
C        2.7238  -0.5140  -1.5351
H        2.3724  -1.4616   0.9889
H        2.4184  -0.0086   2.9527
H        1.8263   1.4108   2.0209
H        2.1419  -0.2235  -2.4254
H        3.7738  -0.2380  -1.7512
H        2.6861  -1.6084  -1.4260
C       -0.6456  -2.4276   0.8029
C        0.2044  -2.3296  -0.3080
C       -0.4821  -1.6622  -1.3352
C       -1.7906  -1.4055  -0.8717
C       -1.8865  -1.8604   0.4489
H       -0.4043  -2.8994   1.7595
H        1.2159  -2.7316  -0.3765
H       -0.1021  -1.4566  -2.3365
H       -2.6073  -0.9783  -1.4534
H       -2.7808  -1.8218   1.0699
C        0.1737   2.4706   0.1003
C       -0.1240   1.9051  -1.1598
C       -1.4657   1.5067  -1.1387
C       -1.9889   1.7795   0.1413
C       -0.9763   2.3985   0.8929
H        1.1163   2.9434   0.3884
H        0.5422   1.8558  -2.0228
H       -2.0150   1.0981  -1.9862
H       -3.0098   1.5881   0.4755
H       -1.0710   2.7699   1.9143
C        0.2344  -0.1246   3.0947
C       -1.1193  -0.0044   2.5992
H        0.5254  -1.1364   3.4058
H        0.5010   0.6129   3.8629
H       -1.7295  -0.8992   2.7566
H       -1.6490   0.9080   2.8911
