%chk=000014005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014005

0 1
 O  -0.6564000       1.034900     -0.1985000    
 O   0.6297000      -2.416800     -5.9700001E-02
 O   -4.495200      -1.828000     -0.9437000    
 O   -4.968600       2.896100     -0.8856000    
 O   -2.086000      -2.764700     -0.5495000    
 O    4.875800     -0.1219000      -1.377000    
 O    5.536700       1.348200      0.8865000    
 O   0.1850000      -2.446600       2.225900    
 O   -4.871400      -1.859300       1.366500    
 O   -5.343100       2.793500       1.422800    
 O    5.150500      -2.094900     -0.1475000    
 O    5.192400       3.322600     -0.3230000    
 C   -2.540200     -0.4506000     -0.5673000    
 C   -1.989900      0.8224000     -0.4352000    
 C   0.1811000     -6.4800002E-02 -9.8300003E-02
 C  -0.2244000      -1.344000     -0.1973000    
 C    1.585000      0.3032000      0.1572000    
 C   -1.659000      -1.622300     -0.4484000    
 C   -3.907800     -0.6067000     -0.8070000    
 C   -2.805100       1.949500     -0.5415000    
 C   -4.170900       1.797900     -0.7810000    
 C   -4.720900      0.5222000     -0.9136000    
 C    2.581800     -8.4899999E-02 -0.7381000    
 C    1.917100       1.040000       1.294100    
 C    3.910700      0.2637000     -0.4966000    
 C    4.242800       1.000500      0.6403000    
 C    3.246000       1.388400       1.535800    
 C   0.7495000      -2.876200       1.227900    
 C   -4.959000      -2.378600      0.2618000    
 C   -5.522100       3.321200      0.3332000    
 C    1.699800      -4.037400       1.246900    
 C    5.447500      -1.371700      -1.089100    
 C   -5.586100      -3.717000      6.5000001E-03
 C    5.913400       2.582100      0.3326000    
 C   -6.380600       4.531300      0.1130000    
 C    6.493800      -1.704600      -2.111000    
 C    7.348400       2.873400      0.6578000    
 H   -2.378100       2.944000     -0.4388000    
 H   -5.786200      0.4099000      -1.101800    
 H    2.335400     -0.6529000      -1.632700    
 H    1.153000       1.347700       2.003700    
 H    3.497700       1.961300       2.424200    
 H    2.676800      -3.722300      0.8716000    
 H    1.820800      -4.390400       2.275000    
 H    1.298900      -4.853900      0.6415000    
 H   -6.434000      -3.603500     -0.6734000    
 H   -5.948300      -4.134100      0.9505000    
 H   -4.842600      -4.398400     -0.4144000    
 H   -7.201400       4.282900     -0.5642000    
 H   -6.801400       4.856600       1.068600    
 H   -5.775200       5.343600     -0.2966000    
 H    7.286500     -0.9530000      -2.084900    
 H    6.929100      -2.680900      -1.880000    
 H    6.038600      -1.751100      -3.103300    
 H    7.477800       2.925700       1.741600    
 H    7.630200       3.837400      0.2251000    
 H    7.988000       2.097400      0.2299000    


%chk=000014005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014005

0 1
O -0.880952 1.108738 0.129288
O 0.607565 -2.224813 -0.440608
O -4.728707 -1.871259 -0.668801
O -5.461597 2.771729 0.043788
O -2.071251 -2.805863 -0.621778
O 5.102210 -0.334935 -0.130620
O 5.334169 2.234535 0.792504
O 0.065103 -3.297745 1.583729
O -4.336828 -2.737232 1.479524
O -4.079708 4.644599 0.435166
O 4.273923 -2.505243 -0.536985
O 5.968001 2.175968 -1.471685
C -2.724824 -0.486630 -0.222939
C -2.250157 0.832510 0.008432
C 0.082712 0.093171 0.017841
C -0.336859 -1.204493 -0.227492
C 1.449769 0.623310 0.188554
C -1.755311 -1.595287 -0.371948
C -4.143585 -0.626540 -0.357375
C -3.079978 1.968072 0.115600
C -4.463964 1.764371 -0.029569
C -5.000076 0.474075 -0.264879
C 2.592913 -0.176255 -0.095163
C 1.627714 1.958778 0.647236
C 3.881864 0.355689 0.092229
C 4.048176 1.694781 0.533707
C 2.920533 2.485825 0.812873
C 0.621420 -3.348705 0.480932
C -4.623877 -2.946765 0.293845
C -5.212189 4.152522 0.278730
C 1.448800 -4.448715 -0.124321
C 5.227046 -1.707933 -0.449614
C -4.957132 -4.245425 -0.383739
C 6.266039 2.381303 -0.285518
C -6.533417 4.882220 0.303088
C 6.689764 -2.022869 -0.655248
C 7.594174 2.824551 0.277209
H -2.646976 2.950696 0.294748
H -6.078871 0.339779 -0.367671
H 2.471957 -1.192913 -0.458903
H 0.754695 2.575788 0.868151
H 3.073604 3.510921 1.161964
H 2.444923 -4.060203 -0.399466
H 1.547806 -5.276348 0.592478
H 0.959998 -4.808271 -1.046193
H -5.798679 -4.121482 -1.084250
H -5.185461 -5.015979 0.366811
H -4.068815 -4.548789 -0.965480
H -7.167869 4.488330 1.116073
H -6.358030 5.956531 0.455059
H -7.076705 4.719138 -0.643472
H 7.255129 -1.823382 0.271769
H 6.803150 -3.078884 -0.938323
H 7.107318 -1.373001 -1.443332
H 7.458372 3.694681 0.941013
H 8.281133 3.076880 -0.542954
H 8.027737 2.012569 0.887482


