%chk=000158101.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158101

0 1
 O  -0.8218000      0.5777000      0.4425000    
 O   -1.477200      -1.290400       1.713100    
 O    1.147600     -0.4590000       1.254300    
 O    3.206300      0.1959000      -1.736500    
 O    2.811600       2.860200     -0.6222000    
 O   0.3165000       3.095500      0.7819000    
 O    3.004800      -2.425300      -1.179900    
 O    1.457100      -3.040400      0.4677000    
 C   -3.157900     -0.1770000      0.2930000    
 C   -2.950800      -1.218600     -0.8191000    
 C   -3.625600       1.050200     -0.5030000    
 C   -2.393700     -0.4352000      -2.012500    
 C   -2.807000       1.023700      -1.797900    
 C   -1.892300     -2.8000001E-02   1.161800    
 C    2.717000      0.4319000     -0.4117000    
 C   0.3383000      0.7197000       1.261400    
 C   -2.081800      -2.348300     -0.3701000    
 C   -3.551800       2.379700      0.2309000    
 C    1.924400       1.759100     -0.4197000    
 C    1.163500       1.956100      0.8937000    
 C    1.758300     -0.7172000     -1.6300000E-02
 C   -1.466800      -2.328300      0.8183000    
 C    3.952400      0.5047000      0.4995000    
 C    2.428700      -2.086800      7.0699997E-02
 H   -3.966800     -0.5231000      0.9517000    
 H   -3.931700      -1.627000      -1.098700    
 H   -4.677600      0.8831000     -0.7760000    
 H   -2.799700     -0.8229000      -2.953700    
 H   -1.301900     -0.5073000      -2.084200    
 H   -1.914500       1.656200      -1.726800    
 H   -3.396400       1.397600      -2.642300    
 H   -2.145900      0.6201000       2.010300    
 H   1.7700000E-02  0.8731000       2.300400    
 H   -2.011400      -3.230900     -0.9979000    
 H   -2.523400       2.661700      0.4731000    
 H   -3.974700       3.179400     -0.3865000    
 H   -4.122400       2.337400       1.164200    
 H    1.226000       1.775800      -1.266400    
 H    1.887600       2.169800       1.689400    
 H   0.9632000     -0.7944000     -0.7717000    
 H  -0.9340000      -3.176100       1.222200    
 H    4.586600     -0.3806000      0.3815000    
 H    4.596000       1.349800      0.2306000    
 H    3.683700      0.6000000       1.555700    
 H    3.209900      -2.096600      0.8371000    
 H    2.442200      0.1527000      -2.336500    
 H    2.277700       3.672600     -0.5937000    
 H  -0.1608000       3.189300       1.623900    
 H    2.416200      -2.108100      -1.885000    
 H    1.930000      -3.776700      0.8911000    


%chk=000158101-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158101

0 1
O -0.850709 0.453783 0.567490
O -1.701207 -1.445786 1.779976
O 1.236851 -0.413801 1.485656
O 2.831543 -0.197630 -1.877622
O 2.364427 2.587699 -1.240969
O 0.234456 3.103852 0.522363
O 3.611775 -2.380557 -0.533634
O 1.564788 -3.251679 0.349793
C -3.213592 -0.157157 0.297633
C -2.960938 -1.143599 -0.880564
C -3.593113 1.176196 -0.410074
C -2.325951 -0.270218 -2.020165
C -2.720908 1.209164 -1.705634
C -2.015081 -0.113226 1.260343
C 2.555291 0.283574 -0.494043
C 0.308255 0.719388 1.394707
C -2.151615 -2.348663 -0.454389
C -3.488576 2.454962 0.444266
C 1.609734 1.502427 -0.608859
C 1.068948 1.917397 0.767330
C 1.738401 -0.865285 0.164110
C -1.602798 -2.452614 0.781510
C 3.870986 0.615350 0.234612
C 2.539913 -2.160647 0.415603
H -4.053480 -0.517196 0.923933
H -3.955447 -1.488636 -1.232569
H -4.654036 1.053255 -0.715896
H -2.682294 -0.600609 -3.012995
H -1.228658 -0.388744 -2.005907
H -1.815541 1.812142 -1.515581
H -3.270965 1.682990 -2.539754
H -2.220435 0.480774 2.171873
H 0.013276 0.899235 2.447238
H -1.988909 -3.166139 -1.164260
H -2.434003 2.660567 0.702539
H -3.867686 3.327664 -0.119342
H -4.081322 2.378578 1.376489
H 0.748861 1.220186 -1.248889
H 1.909275 2.174490 1.442751
H 0.883361 -1.112866 -0.494347
H -0.989100 -3.283056 1.132897
H 4.594797 -0.201469 0.082640
H 4.288785 1.561972 -0.147147
H 3.699819 0.718624 1.321477
H 3.019147 -2.138476 1.412768
H 3.190714 0.565314 -2.399304
H 1.778622 3.387886 -1.239111
H 0.073981 3.585660 1.371357
H 3.428982 -1.859932 -1.372244
H 2.076775 -4.100344 0.393644


