40
2etbu_cistrans180.xyz
Zr      -0.0067   0.0022   0.0023
C        2.2516   0.0064  -0.0490
C        2.1218   1.4851  -0.0307
C        2.6391   2.1220  -1.3079
C        2.5448   3.6195  -1.3727
H        2.1341   1.6595  -2.1748
H        3.7019   1.8159  -1.3781
H        2.9360   3.9910  -2.3342
H        3.1350   4.1021  -0.5756
H        1.5009   3.9729  -1.2811
C        2.6694   2.1504   1.2240
C        1.8417   3.2816   1.7703
H        2.7336  -0.3828  -0.9563
H        2.7268  -0.3980   0.8563
H        0.9893   1.8339  -0.0171
H        2.8133   1.3795   2.0019
H        3.6896   2.5053   0.9747
H        2.3218   3.7402   2.6512
H        1.6816   4.0795   1.0267
H        0.8443   2.9213   2.0898
C       -1.0198   0.5352   2.2102
C       -1.7388  -0.5312   1.6502
C       -0.8731  -1.6452   1.5763
C        0.3772  -1.2618   2.1000
C        0.2878   0.0882   2.4793
H       -1.4129   1.5343   2.4179
H       -2.7916  -0.5177   1.3656
H       -1.1483  -2.6457   1.2356
H        1.2523  -1.9048   2.2112
H        1.0841   0.6824   2.9336
C       -0.4130   0.7029  -2.3202
C       -1.6567   0.2960  -1.7921
C       -1.5927  -1.0842  -1.5474
C       -0.3076  -1.5329  -1.9097
C        0.4174  -0.4319  -2.4004
H       -0.1602   1.7123  -2.6602
H       -2.5285   0.9346  -1.6335
H       -2.4033  -1.7041  -1.1641
H        0.0529  -2.5632  -1.8518
H        1.4278  -0.4634  -2.8103
