%chk=000157127.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157127

0 1
 O  -0.3201000      -1.788700      0.8417000    
 O   -3.752900       2.214000     -0.6065000    
 O   -4.675200      7.0200004E-02 -5.2000000E-03
 O    4.939000       1.334800      0.2071000    
 C  -0.5942000      0.4954000      0.1221000    
 C   -1.132300     -0.7552000      0.4731000    
 C   -2.790100       1.313900     -0.2679000    
 C   -3.316900      8.9800000E-02  7.5599998E-02
 C   -1.430500       1.549000     -0.2545000    
 C   0.8388000      0.7130000      0.1440000    
 C   -2.513000     -0.9667000      0.4513000    
 C  -0.3795000      -2.970700      4.8000000E-02
 C   -4.944800       1.419700     -0.4370000    
 C   0.9731000      -3.664600      9.7599998E-02
 C    1.453500       1.172400       1.306800    
 C    1.596800      0.4617000     -0.9978000    
 C    2.832500       1.381700       1.328100    
 C    2.975800      0.6709000     -0.9767000    
 C    3.593700       1.130800      0.1863000    
 C   0.9897000      -4.929900     -0.7412000    
 C    5.656500       1.058400     -0.9949000    
 H   -1.036500       2.522300     -0.5296000    
 H   -2.947900      -1.921500      0.7263000    
 H  -0.6296000      -2.727900     -0.9930000    
 H   -1.157000      -3.629400      0.4515000    
 H   -5.586800       1.904700      0.3074000    
 H   -5.480300       1.382000      -1.392500    
 H    1.752300      -2.976800     -0.2524000    
 H    1.226700      -3.902700       1.137500    
 H   0.8746000       1.372100       2.205300    
 H    1.129400      0.1014000      -1.911200    
 H    3.308200       1.739800       2.236900    
 H    3.506300      0.4556000      -1.897900    
 H   0.7795000      -4.706900      -1.792100    
 H    1.972400      -5.408600     -0.6859000    
 H   0.2424000      -5.646200     -0.3854000    
 H    5.341300       1.716200      -1.812000    
 H    5.593300     -6.9999998E-04  -1.266700    
 H    6.711600       1.275600     -0.7987000    


%chk=000157127-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157127

0 1
O -0.083748 -1.956200 0.162180
O -3.655350 2.271317 -0.743125
O -4.591429 0.080421 -0.456315
O 5.272104 1.433679 0.051705
C -0.383290 0.413490 -0.205172
C -0.972546 -0.884921 -0.041646
C -2.625579 1.317274 -0.487844
C -3.178513 0.035943 -0.324510
C -1.249954 1.527753 -0.433456
C 1.089790 0.648494 -0.169828
C -2.382843 -1.087764 -0.101748
C -0.629632 -3.325300 0.180198
C -4.913528 1.535836 -0.468305
C 0.556758 -4.281303 0.328795
C 1.949978 -0.004450 0.761158
C 1.678989 1.592035 -1.052676
C 3.324324 0.279992 0.809414
C 3.059623 1.887136 -1.021160
C 3.888142 1.227965 -0.080793
C 0.097154 -5.755490 0.359381
C 5.896950 2.407703 -0.844919
H -0.833571 2.533124 -0.532582
H -2.835111 -2.073536 0.015966
H -1.180823 -3.518394 -0.764405
H -1.334514 -3.437969 1.031580
H -5.293172 1.822536 0.531933
H -5.631905 1.734743 -1.277464
H 1.257245 -4.113130 -0.509851
H 1.103111 -4.031916 1.257668
H 1.530563 -0.740292 1.450938
H 1.053325 2.087610 -1.804070
H 3.981239 -0.217016 1.529882
H 3.469861 2.612522 -1.730068
H -0.430915 -6.033297 -0.572138
H 0.963552 -6.431412 0.467427
H -0.587009 -5.948245 1.207239
H 5.467298 3.419072 -0.704919
H 5.792366 2.105459 -1.905518
H 6.960862 2.415430 -0.565452


