40
g_butyl_Et_cc270.xyz      -5201.14
Zr        -0.008018 -0.000230 -0.036736
C          2.332376 -0.464689 -0.712931
C          2.398961  0.559938  0.248004
C          1.793790  1.706694 -0.305265
C          1.332566  1.382424 -1.590459
C          1.661758  0.035458 -1.842458
H          2.741698 -1.472565 -0.607145
H          2.888703  0.497033  1.221901
H          1.750444  2.693855  0.158052
H          0.846036  2.066240 -2.288405
H          1.478220 -0.506348 -2.770239
C         -2.473104 -0.375617  0.131870
C         -1.928362 -1.573135 -0.340852
C         -1.355566 -1.325307 -1.607580
C         -1.597239  0.022495 -1.932381
C         -2.268696  0.617463 -0.854199
H         -2.994080 -0.241283  1.083629
H         -1.946739 -2.536673  0.175481
H         -0.885612 -2.067564 -2.255427
H         -1.325740  0.511125 -2.869705
H         -2.623403  1.648817 -0.818101
C         -0.025392 -2.105722  3.959227
H          1.036743 -2.395279  4.080300
H         -0.080249 -1.039601  4.246817
C         -0.416190 -2.277095  2.507581
H         -1.491262 -2.031089  2.386699
H         -0.333648 -3.360504  2.271000
C         -0.893374 -2.921959  4.877720
H         -0.613991 -2.778526  5.933829
H         -1.957571 -2.645456  4.774741
H         -0.806951 -3.998839  4.651618
C          0.445161 -1.481975  1.581485
H          0.477180 -1.963057  0.529793
H          1.494458 -1.482445  1.928793
C         -0.704544  1.858640  1.592163
C         -0.253655  0.959050  2.499827
H          0.772026  0.987357  2.882963
H         -0.072171  2.687470  1.260951
H         -1.777212  1.946840  1.393411
H         -0.944840  0.277986  3.006741
