%chk=000158940.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158940

0 1
 O   0.2056000      -1.121300     -0.4564000    
 O  -0.8374000      3.7099998E-02   1.310200    
 O    1.659300      0.6099000      0.1211000    
 O    2.419400      -2.865200     -0.7129000    
 O    4.886800      -1.414800      -1.412100    
 O    5.306400      0.7999000      0.3976000    
 O   -3.076800       1.962900      -2.279700    
 O   -3.058900       3.178000     -0.3422000    
 O    1.846800       2.919000       1.600600    
 C   -2.126600      -1.570600     -7.4800000E-02
 C   -2.684800     -0.4186000     -0.9491000    
 C   -3.290700      -1.991300      0.8685000    
 C   -4.192300     -0.6903000     -0.9462000    
 C   -4.482400      -1.106200      0.4869000    
 C  -0.7877000      -1.189900      0.5721000    
 C   -2.312700      0.9200000     -0.3752000    
 C   -3.033200      -1.974800       2.368800    
 C    1.489200     -0.8050000      8.1600003E-02
 C   -1.488500       1.058900      0.6696000    
 C    2.547000      -1.447200     -0.8157000    
 C    3.957600      -1.032900     -0.3966000    
 C    4.057100      0.4811000     -0.2097000    
 C    2.918800      0.9951000      0.6747000    
 C   -2.850900       2.149200     -0.9616000    
 C    2.928600       2.517000      0.7802000    
 H   -1.940800      -2.421900     -0.7470000    
 H   -2.282000     -0.4942000      -1.966700    
 H   -3.551500      -3.026300      0.6046000    
 H   -4.420900      -1.520000      -1.626900    
 H   -4.803500      0.1646000      -1.249600    
 H   -4.543000     -0.2221000       1.132800    
 H   -5.432600      -1.643400      0.5697000    
 H  -0.4902000      -1.985700       1.264700    
 H   -2.794400     -0.9715000       2.733100    
 H   -3.923700      -2.314300       2.909500    
 H   -2.213300      -2.648000       2.636900    
 H    1.578700      -1.215500       1.097600    
 H    2.371300      -1.188300      -1.866700    
 H   -1.245700       2.000100       1.144100    
 H    4.266300      -1.555200      0.5174000    
 H    4.034900      0.9714000      -1.190700    
 H    2.992500      0.5849000       1.691200    
 H    2.798200       2.988100     -0.1997000    
 H    3.855900       2.885500       1.228000    
 H    2.576800      -3.115800      0.2134000    
 H    4.795800      -2.374400      -1.542100    
 H    5.330800      0.3788000       1.273900    
 H   -3.440100       2.766900      -2.708500    
 H    1.029100       2.601200       1.182200    


%chk=000158940-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158940

0 1
O 0.186545 -1.532668 -0.269189
O -0.925982 -0.466499 1.610896
O 1.391039 0.443805 -0.064762
O 2.783229 -3.070461 -0.221543
O 5.062970 -1.346227 -0.811539
O 4.990205 1.294770 0.345309
O -2.658836 2.286110 -1.944071
O -1.184388 3.203530 -0.421756
O 1.208381 3.186523 1.012602
C -2.206485 -1.698404 -0.168397
C -2.526822 -0.323576 -0.876896
C -3.511721 -2.122248 0.619306
C -4.086121 -0.227342 -0.790599
C -4.416064 -0.860770 0.575429
C -0.935732 -1.622852 0.675339
C -1.869611 0.864651 -0.184342
C -3.318100 -2.699110 2.037212
C 1.414992 -0.991532 0.249997
C -1.197187 0.752660 1.003792
C 2.620696 -1.624738 -0.469194
C 3.906399 -0.887288 -0.037668
C 3.819657 0.635847 -0.235025
C 2.562754 1.183273 0.471885
C -1.856905 2.193413 -0.798012
C 2.310544 2.673693 0.209969
H -1.990931 -2.454533 -0.944803
H -2.196289 -0.339192 -1.929194
H -4.007770 -2.901241 0.004622
H -4.533564 -0.829256 -1.605905
H -4.444100 0.807619 -0.906527
H -4.144240 -0.168691 1.396793
H -5.485718 -1.112344 0.689718
H -0.787476 -2.480669 1.353073
H -2.806256 -1.979237 2.701494
H -4.302530 -2.926168 2.486758
H -2.738270 -3.641915 2.031570
H 1.483597 -1.124515 1.357942
H 2.470435 -1.551495 -1.558605
H -0.772858 1.593422 1.558884
H 4.078258 -1.083719 1.048806
H 3.752082 0.836300 -1.326683
H 2.641076 1.015108 1.568006
H 2.136194 2.823631 -0.876423
H 3.222296 3.223393 0.501812
H 2.775117 -3.236104 0.757640
H 5.032935 -2.337939 -0.844494
H 5.795037 0.854398 -0.032850
H -2.554166 3.199837 -2.324435
H 0.361984 3.213649 0.474961


