40
1etbu_dih80.xyz
Zr      -0.0770   0.0032   0.0686
C        2.1710   0.1645   0.0027
C        1.8429   1.6368  -0.0451
C        1.4219   2.2786  -1.3490
C        1.3421   3.7755  -1.2309
H        2.6964   2.2060   0.3797
H        1.0561   1.9015   0.7335
H        0.4386   1.8957  -1.7099
H        2.1398   1.9814  -2.1387
H        1.0154   4.2457  -2.1720
H        2.3304   4.1945  -0.9722
H        0.6381   4.0829  -0.4374
C        3.2066  -0.1615   1.0401
C        4.5881   0.2772   0.6205
H        2.5201  -0.1780  -0.9882
H        3.2149  -1.2505   1.2329
H        2.9422   0.3238   2.0002
H        5.3383   0.0634   1.3996
H        4.9013  -0.2401  -0.3030
H        4.6257   1.3635   0.4191
C        0.0959   0.6283   2.4875
C       -1.2653   0.7217   2.1381
C       -1.7190  -0.5629   1.8032
C       -0.6337  -1.4524   1.9400
C        0.4930  -0.7159   2.3571
H        0.7213   1.4513   2.8421
H       -1.8712   1.6319   2.1497
H       -2.7388  -0.8301   1.5248
H       -0.6732  -2.5361   1.8259
H        1.4726  -1.1265   2.6029
C       -1.0010  -0.2394  -2.2337
C       -1.7199  -1.0996  -1.3817
C       -0.8316  -2.1059  -0.9499
C        0.4369  -1.8441  -1.5001
C        0.3236  -0.6906  -2.3001
H       -1.4136   0.6287  -2.7565
H       -2.7875  -1.0475  -1.1664
H       -1.1015  -2.9695  -0.3414
H        1.3346  -2.4498  -1.3654
H        1.1275  -0.2279  -2.8766
