42
cp2zrme_me_bme3_Cs.xyz
C        1.1625  -0.0377   0.0000
H        0.9991   0.5141  -0.9298
H        0.7827  -1.0800   0.0000
H        0.9991   0.5141   0.9298
Zr      -1.3137   0.0411   0.0000
C       -1.1935  -0.0817  -2.5611
C       -0.9790   1.2796  -2.2317
C       -2.1598   1.7806  -1.6394
C       -3.1177   0.7305  -1.6211
C       -2.5205  -0.4174  -2.1944
H       -0.4656  -0.7484  -3.0178
H       -0.0700   1.8465  -2.4093
H       -2.3231   2.8013  -1.3125
H       -4.1456   0.8143  -1.2828
H       -3.0007  -1.3775  -2.3452
C       -1.1935  -0.0817   2.5611
C       -2.5205  -0.4174   2.1944
C       -3.1177   0.7305   1.6211
C       -2.1598   1.7806   1.6394
C       -0.9790   1.2796   2.2317
H       -0.4656  -0.7484   3.0178
H       -3.0007  -1.3775   2.3452
H       -4.1456   0.8143   1.2828
H       -2.3231   2.8013   1.3125
H       -0.0700   1.8465   2.4093
C       -1.7170  -2.2352   0.0000
H       -1.2505  -2.6827   0.8930
H       -2.7781  -2.5236   0.0000
H       -1.2505  -2.6827  -0.8930
B        2.9166  -0.2080   0.0000
C        3.2880  -1.0246   1.3606
C        3.2880  -1.0246  -1.3606
H        2.8589  -2.0429  -1.3921
H        4.3834  -1.1483   1.4421
H        2.9689  -0.5060  -2.2838
H        2.9689  -0.5060   2.2838
H        4.3834  -1.1483  -1.4421
H        2.8589  -2.0429   1.3921
C        3.5129   1.3106   0.0000
H        4.6172   1.2835   0.0000
H        3.2211   1.8994  -0.8896
H        3.2211   1.8994   0.8896
