43
cp2zr_Me_trans_2Hex_PI32.xyz                      
Zr         0.098156 -0.034223  0.006432
C          2.376968 -0.233742 -0.007032
C          0.503511  2.903531 -0.012051
C         -0.848355  2.997581  0.000064
H          2.816832 -1.239813  0.041786
H          2.764559  0.239437 -0.923573
H          2.749210  0.321929  0.871617
C          0.278594  0.013726  2.543780
C          0.686334 -1.277293  2.127265
C         -0.437969 -1.924541  1.556398
C         -1.545352 -1.036407  1.631070
C         -1.102742  0.151205  2.249609
H          0.905514  0.747574  3.044398
H          1.671301 -1.710388  2.258981
H         -0.471281 -2.951025  1.205042
H         -2.563532 -1.255190  1.329297
H         -1.726764  1.004196  2.489093
C          0.259419  0.035118 -2.541905
C          0.635838 -1.267706 -2.136898
C         -0.501087 -1.887352 -1.559316
C         -1.583197 -0.967051 -1.614384
C         -1.112720  0.215442 -2.227504
H          0.901684  0.748216 -3.050049
H          1.608334 -1.725270 -2.281093
H         -0.558231 -2.916408 -1.218993
H         -2.603863 -1.164817 -1.307157
H         -1.714791  1.089860 -2.457116
C          1.364732  3.106753 -1.221118
H          2.253051  2.466648 -1.231367
H          0.807412  2.993339 -2.158262
H          1.734986  4.146973 -1.188706
H          1.020621  2.927576  0.956858
H         -1.367972  3.080123 -0.960250
C         -1.661531  3.303294  1.216814
H         -2.597523  2.726017  1.229941
H         -1.089707  3.064359  2.123959
C         -2.020114  4.808420  1.260734
H         -1.092470  5.393559  1.160090
H         -2.653262  5.062914  0.396327
C         -2.730765  5.181225  2.560417
H         -3.668875  4.622119  2.682604
H         -2.094415  4.976643  3.433281
H         -2.974979  6.251587  2.571105
