%chk=000085572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085572

0 1
 O    2.395400       1.371700      0.9674000    
 O   0.7467000      0.7356000       2.423700    
 O    3.619500       1.693300     -0.9428000    
 C   0.4597000      0.4945000      1.1500000E-02
 C  -0.4898000     -0.7050000      0.1332000    
 C    1.608700      0.3290000     -0.9724000    
 C    2.187700      -1.085600      -1.116100    
 C   0.2369000      -2.030500      0.1533000    
 C   -1.512100     -0.6864000      -1.010600    
 C    1.442100      -2.178800     -0.4174000    
 C    1.181600      0.8377000       1.288100    
 C    2.651300       1.225800     -0.3639000    
 C  -0.4537000      -3.175300      0.8379000    
 C   -2.325100      0.5697000     -0.9785000    
 C   -3.461500      0.7966000     -0.2927000    
 C   -4.234400       2.085000     -0.3018000    
 C   -4.052800     -0.2775000      0.5810000    
 H  -8.2599998E-02   1.418800     -0.2244000    
 H   -1.026300     -0.6106000       1.087700    
 H    1.321000      0.7301000      -1.950900    
 H    3.227400      -1.116900     -0.7652000    
 H    2.229800      -1.338400      -2.183400    
 H   -1.003600     -0.7403000      -1.982700    
 H   -2.162300      -1.568000     -0.9855000    
 H    1.929200      -3.150600     -0.3958000    
 H   -1.409000      -3.397500      0.3528000    
 H  -0.6460000      -2.928200       1.887000    
 H   0.1475000      -4.090500      0.8189000    
 H   -1.946100       1.381400      -1.598400    
 H   -5.253200       1.916100     -0.6650000    
 H   -4.286700       2.506900      0.7069000    
 H   -3.766300       2.830800     -0.9526000    
 H   -3.438300      -1.173900      0.6850000    
 H   -5.025200     -0.5871000      0.1830000    
 H   -4.208600      0.1124000       1.593100    


%chk=000085572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085572

0 1
O 2.397750 0.985238 1.432445
O 0.378940 0.838737 2.589090
O 4.037213 0.867834 -0.220606
C 0.406614 0.521175 0.108219
C -0.503169 -0.745425 0.128264
C 1.644686 0.458941 -0.825055
C 1.868040 -0.917287 -1.532066
C 0.345121 -2.016750 0.141856
C -1.526108 -0.754360 -1.064884
C 1.454071 -2.079858 -0.647367
C 0.970590 0.784604 1.507669
C 2.843294 0.783344 0.077421
C -0.118239 -3.155025 1.023712
C -2.388685 0.494030 -1.151389
C -3.492292 0.772123 -0.395707
C -4.259230 2.071428 -0.572655
C -4.041888 -0.158528 0.670876
H -0.239235 1.387851 -0.135203
H -1.097849 -0.687068 1.060847
H 1.611259 1.247805 -1.598693
H 2.929999 -0.996232 -1.824876
H 1.282808 -0.922803 -2.473300
H -0.973755 -0.887722 -2.013509
H -2.155500 -1.657686 -0.947434
H 2.069174 -2.988085 -0.667976
H -1.154859 -3.458305 0.774486
H -0.126031 -2.852251 2.089151
H 0.528993 -4.043238 0.923010
H -2.083091 1.243824 -1.896960
H -5.306954 1.874594 -0.874931
H -4.306974 2.637286 0.378863
H -3.798460 2.721518 -1.336545
H -3.565241 -1.152780 0.663997
H -5.132307 -0.299640 0.539951
H -3.897785 0.277013 1.679701


