%chk=000138369.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138369

0 1
 I   0.8291000      -1.402900       1.839500    
 O    2.059100       1.083600     -0.7394000    
 O    4.121600     -0.7859000     -0.6183000    
 O    1.705700       2.252700       1.211700    
 O   -4.205500      -1.603600     -0.2044000    
 O   -5.074500      0.5259000     -0.2989000    
 C    3.428300       1.501500     -0.7530000    
 C    4.263200      0.4859000      2.9000000E-03
 C  -7.6800004E-02   1.033100      0.2017000    
 C   -2.725200      0.1960000     -6.0800001E-02
 C  -0.4873000     -0.1716000      0.7724000    
 C  -0.9905000       1.819400     -0.5001000    
 C    1.291900       1.526700      0.3012000    
 C   -1.811500     -0.5901000      0.6412000    
 C   -2.314700       1.400900     -0.6315000    
 C    4.902400      -1.775300      3.7400000E-02
 C    4.710500      -3.101500     -0.6668000    
 C   -4.106000     -0.2390000     -0.1984000    
 C   -5.519600      -2.155900     -0.3362000    
 H    3.732500       1.529900      -1.804700    
 H    3.548500       2.511000     -0.3450000    
 H    3.927000      0.4151000       1.043200    
 H    5.315500      0.7907000     -1.3100000E-02
 H  -0.6841000       2.760200     -0.9507000    
 H   -2.129700      -1.523900       1.099500    
 H   -3.013000       2.024100      -1.184300    
 H    5.960500      -1.492300      7.1999999E-03
 H    4.588400      -1.864100       1.083400    
 H    5.299400      -3.888100     -0.1868000    
 H    3.655300      -3.394000     -0.6566000    
 H    5.009800      -3.027200      -1.717500    
 H   -6.146100      -1.842400      0.5040000    
 H   -5.433700      -3.245600     -0.3246000    
 H   -5.964700      -1.847200      -1.286700    


%chk=000138369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138369

0 1
I -1.202331 1.370115 3.603128
O 2.050266 1.189400 0.025526
O 4.451549 -0.355127 -0.882416
O 1.705326 0.987868 2.322262
O -5.002902 -0.712666 0.298611
O -4.205433 -1.312352 -1.807365
C 3.476438 1.521846 0.290013
C 4.336860 0.271462 0.433956
C -0.118407 0.508223 0.739463
C -2.672931 -0.374484 -0.155304
C -1.249738 0.573382 1.602903
C -0.302496 -0.002518 -0.579196
C 1.265552 0.910683 1.151237
C -2.516073 0.140041 1.154633
C -1.557142 -0.443524 -1.025546
C 5.248002 -1.591910 -0.845868
C 5.300193 -2.146942 -2.268445
C -3.997904 -0.847174 -0.660196
C -6.352415 -1.155889 -0.124709
H 3.782994 2.100356 -0.594753
H 3.537005 2.132365 1.208063
H 3.893187 -0.427424 1.174716
H 5.341473 0.576163 0.808977
H 0.570297 -0.042638 -1.235336
H -3.388814 0.196619 1.808457
H -1.695001 -0.840293 -2.035733
H 6.270916 -1.368948 -0.466459
H 4.777041 -2.321071 -0.149287
H 5.888814 -3.081892 -2.296732
H 4.282020 -2.361519 -2.635917
H 5.767275 -1.416547 -2.951246
H -6.692707 -0.563296 -0.990393
H -6.991769 -0.982908 0.751812
H -6.333343 -2.223298 -0.401357


