%chk=000135867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135867

0 1
 O   -4.948800      0.2684000      -1.130500    
 O    5.776400       1.483300     -0.1791000    
 O    5.907600      -2.515100     -0.5274000    
 O    7.058300     -0.3338000      0.4193000    
 C   -1.434000      0.9053000     -0.4078000    
 C   -3.819400      0.8693000     -0.6658000    
 C   -2.574200      0.2812000     -0.8874000    
 C   -6.148600      0.4781000     -0.3872000    
 C   -1.505000       2.101800      0.2872000    
 C   -3.907400       2.073900      3.2099999E-02
 C  -0.1185000      0.2843000     -0.6418000    
 C    3.428100      0.1134000      0.4351000    
 C   -2.750300       2.690000      0.5086000    
 C   -7.026600     -0.7278000     -0.5071000    
 C   -7.448200      -1.550400      0.4720000    
 C   0.9941000      0.5492000      6.1900001E-02
 C    2.265800     -9.0700001E-02 -0.2166000    
 C    4.682700     -0.5589000      0.1132000    
 C    3.514400       1.076400       1.589600    
 C   -8.332300      -2.726200      0.1487000    
 C   -7.114100      -1.413200       1.930400    
 C    5.980700      0.1775000      0.1486000    
 C    4.745200      -1.857600     -0.2204000    
 C    6.946200       2.307800     -0.2005000    
 C    5.827900      -3.886100     -0.1754000    
 H   -2.515800     -0.6586000      -1.431200    
 H   -6.677100       1.337200     -0.8174000    
 H   -5.945900      0.6984000      0.6637000    
 H  -0.6315000       2.630700      0.6541000    
 H   -4.852000       2.584200      0.1959000    
 H  -8.3400004E-02 -0.4461000      -1.448000    
 H   -2.817800       3.634700       1.040500    
 H   -7.345900     -0.9431000      -1.526400    
 H   0.9738000       1.257800      0.8810000    
 H    2.252600     -0.7918000      -1.050400    
 H    3.590300       2.108700       1.232300    
 H    2.645500      0.9990000       2.251900    
 H    4.378400      0.8738000       2.233500    
 H   -8.563000      -2.794800     -0.9197000    
 H   -9.281700      -2.645700      0.6883000    
 H   -7.843000      -3.660600      0.4428000    
 H   -8.026100      -1.226400       2.507200    
 H   -6.412600     -0.6080000       2.153800    
 H   -6.660700      -2.340100       2.298400    
 H    3.869300      -2.492300     -0.2773000    
 H    6.642600       3.321000     -0.4768000    
 H    7.406300       2.337200      0.7918000    
 H    7.656600       1.938000     -0.9460000    
 H    6.802400      -4.344400     -0.3688000    
 H    5.600100      -4.008900      0.8895000    
 H    5.082400      -4.406300     -0.7870000    


%chk=000135867-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135867

0 1
O -4.703163 -0.350719 -0.191587
O 5.931577 1.514671 -1.208758
O 5.970040 -2.545834 -0.023453
O 7.424403 -0.158285 -0.577663
C -1.215090 0.672630 0.527972
C -3.666748 0.430741 0.346798
C -2.358657 -0.016150 0.045213
C -6.096278 0.105128 0.051987
C -1.417179 1.838635 1.331447
C -3.859302 1.586645 1.144214
C 0.114824 0.153290 0.179520
C 3.869844 0.539613 0.459254
C -2.718984 2.276534 1.626386
C -7.003655 -0.805846 -0.724528
C -8.066746 -1.514697 -0.247415
C 1.333802 0.673636 0.551974
C 2.599418 0.077634 0.164065
C 5.053179 -0.289814 0.086377
C 4.141219 1.825412 1.221221
C -8.905323 -2.368592 -1.184307
C -8.526152 -1.529538 1.199965
C 6.257339 0.302545 -0.559004
C 5.012235 -1.638588 0.376410
C 7.061909 2.174506 -1.898651
C 5.854883 -3.896051 0.556659
H -2.248090 -0.913068 -0.574568
H -6.186057 1.152606 -0.309534
H -6.305044 0.091291 1.139018
H -0.559690 2.396087 1.721396
H -4.859421 1.950249 1.395178
H 0.118311 -0.751836 -0.447288
H -2.862905 3.171076 2.243303
H -6.759921 -0.875773 -1.793547
H 1.361183 1.575109 1.177072
H 2.524352 -0.828917 -0.455342
H 4.826653 2.468923 0.643029
H 3.223106 2.400090 1.420343
H 4.630600 1.610732 2.191349
H -8.547932 -2.310371 -2.226424
H -9.967931 -2.054742 -1.165365
H -8.883480 -3.430888 -0.870124
H -9.523842 -1.057139 1.297772
H -7.838621 -1.007859 1.885241
H -8.634312 -2.572540 1.555643
H 4.154467 -2.043424 0.936493
H 6.624170 3.071826 -2.359034
H 7.853960 2.441984 -1.177942
H 7.489116 1.503664 -2.663182
H 6.566922 -4.516716 -0.005189
H 6.132086 -3.879436 1.626341
H 4.828723 -4.294732 0.436668


