%chk=000085668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085668

0 1
 O   -1.297200      0.9086000      0.2702000    
 O    1.946200       2.441600      0.5073000    
 O  -0.4105000       2.776500     -0.7517000    
 C   -3.509400      2.8700000E-02  1.4200000E-02
 C   -2.981800      -1.359000     -0.3391000    
 C   -2.533700       1.122400     -0.3965000    
 C   0.9583000       1.451200      0.7532000    
 C    1.509000      0.1069000      0.3449000    
 C  -0.3071000       1.817400      2.7000001E-03
 C   -3.939300      -2.450400      0.1115000    
 C    1.093700      -1.031100       1.018800    
 C    2.420300      3.3300001E-02 -0.6972000    
 C    1.602600      -2.273700      0.6415000    
 C    2.928900      -1.209500      -1.074600    
 C    2.520000      -2.363000     -0.4052000    
 H   -4.476300      0.1999000     -0.4724000    
 H   -3.669700      8.0600001E-02   1.098200    
 H   -2.009700      -1.534200      0.1348000    
 H   -2.831600      -1.434800      -1.422300    
 H   -2.377800       1.100900      -1.481500    
 H   -2.940100       2.099900     -0.1125000    
 H   0.7489000       1.472900       1.829100    
 H   -4.081200      -2.424900       1.196600    
 H   -4.917600      -2.335800     -0.3663000    
 H   -3.544200      -3.435500     -0.1561000    
 H   0.3795000     -0.9727000       1.835200    
 H    2.743700      0.9139000      -1.244200    
 H    1.283600      -3.171900       1.162100    
 H    3.640500      -1.279900      -1.892000    
 H    2.915200      -3.330700     -0.6998000    
 H    1.626800       3.276100      0.8915000    


%chk=000085668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085668

0 1
O -1.344080 0.979915 0.423719
O 1.926529 2.578578 0.619150
O -0.358005 2.679517 -0.831918
C -3.570836 0.033328 0.110504
C -3.095446 -1.371909 -0.324317
C -2.637058 1.160332 -0.325951
C 0.999398 1.479304 0.829060
C 1.585180 0.127132 0.387300
C -0.296844 1.784815 0.049569
C -4.060870 -2.485942 0.132250
C 1.038452 -1.084186 0.878340
C 2.675189 0.087282 -0.511905
C 1.572185 -2.324492 0.464015
C 3.205822 -1.154694 -0.929361
C 2.655744 -2.363711 -0.445166
H -4.569347 0.239406 -0.326911
H -3.693715 0.067636 1.210663
H -2.085000 -1.556129 0.086806
H -2.993753 -1.395923 -1.428392
H -2.410025 1.129717 -1.407187
H -3.029153 2.161765 -0.072753
H 0.751036 1.436250 1.905775
H -4.153678 -2.504454 1.234603
H -5.073704 -2.334812 -0.287086
H -3.706813 -3.480949 -0.192759
H 0.196661 -1.056868 1.580469
H 3.115283 1.029479 -0.852148
H 1.148184 -3.257255 0.852883
H 4.052971 -1.177576 -1.624186
H 3.071211 -3.325827 -0.765494
H 1.574481 3.123970 -0.139171


