38
cp2zrallyl_Et_back_cc230.xyz
Zr      -0.2227   0.0333   0.4712
C        2.2968   0.1697  -0.2875
H        2.2890   1.2626  -0.2310
C        2.1976  -0.5146   0.8950
C        1.6815   0.0256   2.0867
C        2.8666  -0.4081  -1.5185
H        2.4242  -1.5904   0.8740
H        1.8752  -0.5566   2.9878
H        1.7921   1.1112   2.2246
H        2.2671  -0.1821  -2.4169
H        3.8688   0.0251  -1.6990
H        2.9954  -1.5000  -1.4448
C       -0.0930  -2.4709   0.5384
C        0.1626  -2.0793  -0.7938
C       -1.0002  -1.4956  -1.3044
C       -1.9835  -1.5145  -0.2901
C       -1.4245  -2.1434   0.8316
H        0.5943  -3.0020   1.2017
H        1.0857  -2.2395  -1.3511
H       -1.1310  -1.1344  -2.3246
H       -3.0120  -1.1629  -0.3843
H       -1.9392  -2.3666   1.7677
C        0.2847   2.4701  -0.0433
C       -0.0638   1.8113  -1.2466
C       -1.4227   1.4675  -1.1592
C       -1.8910   1.8341   0.1111
C       -0.8300   2.4786   0.7882
H        1.2466   2.9327   0.1894
H        0.5739   1.6890  -2.1233
H       -2.0216   1.0125  -1.9494
H       -2.9126   1.7210   0.4751
H       -0.8757   2.9315   1.7806
C       -0.3728  -0.1342   3.1086
C       -1.5738   0.2625   2.5879
H       -0.1862  -1.1966   3.2949
H        0.1909   0.5626   3.7308
H       -2.3608  -0.4606   2.3617
H       -1.9035   1.2947   2.7189
