%chk=000094653.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094653

0 1
 O   -1.015900      -1.776800      0.6628000    
 O   -2.572200       3.062500      0.7741000    
 C    4.052800      0.5104000     -0.2903000    
 C    2.671300     -0.1128000     -3.0600000E-02
 C    5.151800     -0.5503000     -6.4300001E-02
 C    4.280300       1.691700      0.6776000    
 C    4.233000       1.055400      -1.725400    
 C    2.412100     -0.6247000       1.215700    
 C    1.760800     -0.1284000      -1.057300    
 C    1.159000      -1.190200       1.451200    
 C   0.5076000     -0.6938000     -0.8219000    
 C   0.2066000      -1.224700      0.4325000    
 C   -2.128900      -1.087500      0.2112000    
 C   -2.211300      0.2758000      0.4289000    
 C   -3.129900      -1.780800     -0.4449000    
 C   -3.333100      0.9696000     -2.5200000E-02
 C   -4.251500      -1.087100     -0.8990000    
 C   -4.353200      0.2880000     -0.6890000    
 C   -3.439400       2.403500      0.1940000    
 H    6.145200     -0.1422000     -0.2853000    
 H    5.179400     -0.9100000      0.9700000    
 H    4.998600      -1.421600     -0.7121000    
 H    4.291000       1.376800       1.726700    
 H    5.241900       2.181300      0.4832000    
 H    3.493900       2.448200      0.5687000    
 H    5.233100       1.488000      -1.854000    
 H    4.135500      0.2658000      -2.479800    
 H    3.516300       1.852700      -1.954800    
 H    3.136500     -0.6090000       2.022600    
 H    1.942400      0.2639000      -2.049500    
 H   0.9299000      -1.602000       2.430300    
 H  -0.2066000     -0.7283000      -1.640500    
 H   -1.429800      0.8045000      0.9680000    
 H   -3.051900      -2.851300     -0.6091000    
 H   -5.045600      -1.617800      -1.415900    
 H   -5.233400      0.8146000      -1.048700    
 H   -4.349500       2.896500     -0.1879000    


%chk=000094653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094653

0 1
O -1.036463 -1.699661 0.393661
O -2.868545 3.253432 -0.145439
C 4.304347 0.517988 -0.230952
C 2.865018 -0.034093 -0.099786
C 5.320183 -0.661523 -0.146529
C 4.580736 1.519104 0.931594
C 4.530171 1.259867 -1.573585
C 2.481543 -0.743005 1.072875
C 1.883642 0.127035 -1.111275
C 1.180220 -1.256870 1.238640
C 0.575283 -0.387341 -0.969126
C 0.229382 -1.069616 0.214711
C -2.236596 -1.022803 0.098850
C -2.363099 0.379110 0.037978
C -3.370089 -1.860392 -0.070463
C -3.642889 0.943988 -0.206626
C -4.636680 -1.288963 -0.308001
C -4.780712 0.114544 -0.381442
C -3.803815 2.419155 -0.276918
H 6.355421 -0.279627 -0.226122
H 5.233757 -1.207941 0.809839
H 5.153283 -1.385057 -0.965503
H 4.475764 1.036936 1.920002
H 5.610499 1.916294 0.856140
H 3.876795 2.370382 0.893372
H 5.568098 1.637549 -1.616800
H 4.381890 0.592009 -2.442473
H 3.854238 2.128447 -1.680418
H 3.207794 -0.896904 1.878964
H 2.130455 0.656353 -2.035719
H 0.891212 -1.801191 2.142746
H -0.157684 -0.262731 -1.772864
H -1.511124 1.051106 0.182702
H -3.233298 -2.944363 -0.009071
H -5.506627 -1.941003 -0.437968
H -5.761738 0.566609 -0.570375
H -4.853572 2.763076 -0.462621


