51
cp2mezr_o_zrmecp2_C2_50.xyz                       
C         -1.341513  2.553411 -2.128493
Zr        -0.130301  1.982356 -0.227800
O          0.000000  0.000000 -0.439278
H          1.027407  4.179163 -2.334464
C          1.440205  3.574830 -1.534199
C          1.985369  2.270107 -1.669161
H          1.255111  4.911527  0.243322
H          2.036123  1.689199 -2.585428
C          2.436241  1.853929 -0.397236
H          2.888679  0.898042 -0.164845
C          2.148540  2.881339  0.532700
H          2.400326  2.875700  1.588199
C          1.551674  3.956288 -0.178754
H         -0.810451  4.608677  1.584676
C         -1.180176  3.591430  1.510654
C         -0.684114  2.470403  2.228922
H         -2.848086  3.770610  0.040270
H          0.119032  2.487755  2.957592
C         -1.480799  1.350397  1.890354
H         -1.355433  0.343617  2.272840
C         -2.438834  1.767640  0.941095
H         -3.201017  1.150187  0.477395
C         -2.253994  3.154968  0.706395
H         -0.791129  2.216455 -3.022209
H         -1.533191  3.631768 -2.241715
H         -2.317449  2.041098 -2.113102
Zr         0.130301 -1.982356 -0.227800
C          1.341513 -2.553411 -2.128493
H          2.317449 -2.041098 -2.113102
H          0.791129 -2.216455 -3.022209
H          1.533191 -3.631768 -2.241715
H         -2.036123 -1.689199 -2.585428
C         -1.985369 -2.270107 -1.669161
C         -2.436241 -1.853929 -0.397236
H         -1.027407 -4.179163 -2.334464
H         -2.888679 -0.898042 -0.164845
C         -2.148540 -2.881339  0.532700
H         -2.400326 -2.875700  1.588199
C         -1.551674 -3.956288 -0.178754
H         -1.255111 -4.911527  0.243322
C         -1.440205 -3.574830 -1.534199
H          3.201017 -1.150187  0.477395
C          2.438834 -1.767640  0.941095
C          2.253994 -3.154968  0.706395
H          1.355433 -0.343617  2.272840
H          2.848086 -3.770610  0.040270
C          1.180176 -3.591430  1.510654
H          0.810451 -4.608677  1.584676
C          0.684114 -2.470403  2.228922
H         -0.119032 -2.487755  2.957592
C          1.480799 -1.350397  1.890354
