%chk=000138592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138592

0 1
 O  -0.5965000      -1.457900      -1.820600    
 O    2.287200      -1.964300      0.5818000    
 O   -1.293700      0.5434000      -2.719200    
 O   0.3964000      -1.437300       1.784300    
 C  -0.9331000      0.6772000      0.5443000    
 C   0.4285000       1.089500      0.2634000    
 C   -1.712000      4.5299999E-02 -0.4253000    
 C    1.505600      0.2341000      0.4955000    
 C   -1.461400      0.9232000       1.811700    
 C   0.6510000       2.368000     -0.2479000    
 C   -3.019000     -0.3404000     -0.1273000    
 C    2.805100      0.6573000      0.2160000    
 C   -2.768400      0.5375000       2.109400    
 C    1.950500       2.791300     -0.5272000    
 C   -3.547200     -9.4300002E-02   1.140000    
 C    3.027500       1.935900     -0.2952000    
 C   -1.198200     -0.2321000      -1.761600    
 C    1.317100      -1.110700       1.027400    
 C  -4.8999999E-02  -1.845900      -3.085100    
 C    2.209500      -3.319900       1.035600    
 H  -0.8694000       1.414600       2.580500    
 H  -0.1762000       3.048700     -0.4357000    
 H   -3.636100     -0.8340000     -0.8738000    
 H    3.668900      2.3300000E-02  0.3986000    
 H   -3.179700      0.7289000       3.096200    
 H    2.123900       3.787000     -0.9247000    
 H   -4.564800     -0.3947000       1.372100    
 H    4.039400       2.267100     -0.5095000    
 H   0.7327000      -1.143000      -3.388300    
 H  -0.8396000      -1.894800      -3.839600    
 H   0.3945000      -2.838700      -2.973400    
 H    2.289600      -3.357800       2.126000    
 H    3.046400      -3.872800      0.6011000    
 H    1.273200      -3.775900      0.7004000    


%chk=000138592-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138592

0 1
O -0.182941 -0.505175 -2.050255
O 2.501908 -2.131974 0.903091
O -2.333406 -1.253665 -2.491903
O 0.205605 -1.899759 1.173936
C -0.991972 0.567392 0.501509
C 0.445971 0.903781 0.203713
C -1.886846 -0.114125 -0.380050
C 1.543298 0.009533 0.396189
C -1.506283 1.053091 1.731880
C 0.724438 2.227977 -0.219297
C -3.242583 -0.303705 0.000933
C 2.869694 0.452031 0.145997
C -2.852688 0.855309 2.103787
C 2.044522 2.660387 -0.470365
C -3.729193 0.169855 1.232792
C 3.124635 1.767306 -0.288372
C -1.526083 -0.677902 -1.717480
C 1.307145 -1.390975 0.854989
C 0.221840 -1.044680 -3.368391
C 2.352108 -3.532236 1.357706
H -0.827989 1.582015 2.410285
H -0.112822 2.919439 -0.362909
H -3.895995 -0.833353 -0.699807
H 3.690571 -0.252618 0.300963
H -3.212598 1.234517 3.066780
H 2.226845 3.688337 -0.803251
H -4.776399 0.009308 1.509936
H 4.152832 2.094138 -0.477017
H -0.345910 -0.550364 -4.174718
H 0.034665 -2.130896 -3.410020
H 1.295429 -0.820962 -3.441641
H 1.923163 -3.563112 2.373538
H 3.371884 -3.942274 1.344188
H 1.689849 -4.088841 0.673163


