%chk=000163796.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163796

0 1
 O   0.4914000      -2.935300     -0.2148000    
 C  -0.8475000     -0.3596000      0.9202000    
 C   -1.094000      0.5037000     -0.3507000    
 C   -2.595800      0.1442000     -0.1637000    
 C   -2.097900      -1.173900      0.4895000    
 C   0.5522000     -0.9239000       1.098700    
 C    1.898600       1.005400     -1.5799999E-02
 C  -0.6279000       1.931600     -0.1672000    
 C    1.533500      0.2486000       1.289800    
 C   0.8782000       2.124700     -0.4099000    
 C    2.100800      2.5900001E-02  -1.210900    
 C   -3.337400     -7.4299999E-02  -1.466500    
 C   -3.403600       1.049800      0.7481000    
 C    1.038300      -1.853900      2.3000001E-03
 C    2.254800      -1.426100     -0.7841000    
 C    3.256300       1.713000      0.2350000    
 H   -1.068700      0.1766000       1.858600    
 H  -0.7131000      6.6500001E-02  -1.281300    
 H   -1.900700      -1.987500     -0.2169000    
 H   -2.705500      -1.567400       1.309500    
 H   0.5716000      -1.517800       2.022300    
 H  -0.8653000       2.293200      0.8409000    
 H   -1.171200       2.589500     -0.8569000    
 H    1.152700      0.9565000       2.037500    
 H    2.451900     -0.1698000       1.726400    
 H    1.020100       2.355400      -1.475400    
 H    1.148000       3.055900      0.1083000    
 H    2.980500      0.3141000      -1.800700    
 H    1.263700      9.0300001E-02  -1.913600    
 H   -2.789500     -0.7398000      -2.143000    
 H   -4.320000     -0.5267000      -1.291700    
 H   -3.492400      0.8726000      -1.995500    
 H   -3.573400       2.027000      0.2819000    
 H   -4.386400      0.6118000      0.9572000    
 H   -2.928400       1.231200       1.716600    
 H    3.148000      -1.575400     -0.1690000    
 H    2.344800      -2.063800      -1.670200    
 H    4.054500      0.9865000      0.4261000    
 H    3.556000       2.315800     -0.6301000    
 H    3.199500       2.380300       1.102800    


%chk=000163796-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163796

0 1
O 0.419901 -2.985393 -0.211536
C -0.827430 -0.360188 0.960668
C -1.106264 0.553568 -0.270035
C -2.631676 0.111207 -0.187862
C -2.126886 -1.157558 0.619900
C 0.593965 -0.945073 1.131388
C 1.932644 1.033332 -0.006306
C -0.622305 2.003470 -0.164522
C 1.605930 0.222173 1.297802
C 0.927812 2.206286 -0.316341
C 2.036054 0.064780 -1.244495
C -3.312907 -0.172655 -1.537123
C -3.507519 1.045149 0.674372
C 1.012965 -1.890820 -0.002324
C 2.191106 -1.427556 -0.855197
C 3.326795 1.691759 0.208746
H -1.015056 0.237527 1.877385
H -0.700593 0.076048 -1.183326
H -1.925723 -2.015931 -0.043906
H -2.747741 -1.493395 1.468769
H 0.590799 -1.561864 2.055682
H -0.945309 2.399643 0.819101
H -1.125089 2.634443 -0.926038
H 1.233431 0.918921 2.075276
H 2.559096 -0.188856 1.687732
H 1.143449 2.521949 -1.358140
H 1.211850 3.069437 0.319932
H 2.898749 0.364955 -1.870206
H 1.145220 0.168433 -1.888473
H -2.696551 -0.846717 -2.160627
H -4.297664 -0.656960 -1.390300
H -3.480952 0.762733 -2.106569
H -3.651315 2.025357 0.180812
H -4.507214 0.596557 0.829747
H -3.067167 1.230277 1.671459
H 3.119572 -1.558362 -0.259836
H 2.272801 -2.080475 -1.741828
H 4.124952 0.926047 0.258485
H 3.570928 2.382412 -0.620480
H 3.354041 2.270239 1.152015


