%chk=000157745.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157745

0 1
 O   -4.015000      0.4686000      0.4279000    
 O   -3.080400      -1.668800      0.4744000    
 O   -7.769000      -1.046800     -0.2632000    
 O   -7.229100       1.746200     -0.7765000    
 O   -5.381800      -2.679300     -0.8259000    
 O   -3.381500       3.140300      0.2998000    
 O    3.127100     -0.9694000     -4.7100000E-02
 O    4.281400       2.964200     -0.2047000    
 O    6.779500       2.228400     -0.2313000    
 O    7.629100      -2.441900     -0.2698000    
 C   -6.485100     -0.5418000     -0.6335000    
 C   -6.352700      0.8728000     -6.9200002E-02
 C   -5.397200      -1.462400     -8.0100000E-02
 C   -4.915000       1.379500     -0.2056000    
 C   -4.015500     -0.8174000     -0.1874000    
 C   -4.731300       2.742000      0.4554000    
 C    2.314500      5.7999998E-02  0.5416000    
 C   -1.777600      -1.252400      0.4900000    
 C   0.8723000     -0.4032000      0.5237000    
 C    2.478900       1.381000     -0.2039000    
 C   -1.139200      -1.029300       1.706100    
 C   -1.100800      -1.053900     -0.7095000    
 C   0.1890000     -0.6036000       1.723000    
 C   0.2275000     -0.6284000     -0.6926000    
 C    3.927900       1.791800     -0.1631000    
 C    4.911900      0.6898000     -0.1425000    
 C    4.454300     -0.6308000     -0.1080000    
 C    6.281100      0.9610000     -0.2002000    
 C    5.368700      -1.683400     -0.1658000    
 C    6.736500      -1.414900     -0.2248000    
 C    7.191600     -9.5799997E-02 -0.2371000    
 H   -6.458600     -0.5353000      -1.730200    
 H   -6.664700      0.8763000      0.9824000    
 H   -5.624100      -1.726100      0.9605000    
 H   -4.628500       1.474000      -1.262000    
 H   -3.737800     -0.7275000      -1.245900    
 H   -4.945100       2.698800       1.528500    
 H   -5.370100       3.503300     -1.2000001E-03
 H   -8.436000     -0.4345000     -0.6185000    
 H   -6.955900       1.754500      -1.709800    
 H   -4.671900      -3.235200     -0.4612000    
 H    2.636400      0.1799000       1.586500    
 H    1.875100       2.163200      0.2697000    
 H    2.200000       1.308700      -1.261200    
 H   -1.668100      -1.183200       2.642400    
 H   -1.579800      -1.243700      -1.665500    
 H   -2.823400       2.452900      0.7020000    
 H   0.6774000     -0.4323000       2.678500    
 H   0.7470000     -0.4931000      -1.637100    
 H    5.011500      -2.710300     -0.1539000    
 H    8.260800      9.7700000E-02 -0.2831000    
 H    7.750500       2.194300     -0.2722000    
 H    7.142300      -3.283800     -0.2532000    


%chk=000157745-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157745

0 1
O -4.372349 0.787292 0.555174
O -3.114693 -1.143533 0.994610
O -7.577993 -1.601099 -0.685326
O -7.628878 1.247628 -1.317874
O -4.855893 -2.711326 -0.715366
O -4.223120 3.604791 0.208115
O 3.203887 -0.919848 0.043792
O 4.771978 2.934080 0.589722
O 7.221643 1.895113 -0.074903
O 7.429856 -2.723041 -1.422962
C -6.359189 -0.817822 -0.859996
C -6.616372 0.645648 -0.424800
C -5.245091 -1.475977 -0.037950
C -5.318624 1.473988 -0.363478
C -4.015754 -0.545214 0.044356
C -5.491388 2.878063 0.223006
C 2.514106 0.083461 0.912741
C -1.733009 -0.798108 0.916267
C 1.039493 -0.261342 0.914421
C 2.826350 1.492671 0.383033
C -1.104721 -0.389558 2.109600
C -0.992693 -0.957935 -0.277487
C 0.282936 -0.132828 2.104294
C 0.388885 -0.676795 -0.273952
C 4.340696 1.769134 0.355065
C 5.175755 0.598519 -0.008510
C 4.559131 -0.683261 -0.207102
C 6.585353 0.674145 -0.277280
C 5.269598 -1.804154 -0.679458
C 6.646046 -1.664498 -0.954877
C 7.312118 -0.437452 -0.748682
H -6.041697 -0.815448 -1.931135
H -7.108103 0.646143 0.563486
H -5.610784 -1.661649 0.992244
H -4.852311 1.550803 -1.374666
H -3.545060 -0.437627 -0.959122
H -5.899406 2.791522 1.252300
H -6.190289 3.466064 -0.392205
H -8.319943 -1.081927 -1.094719
H -7.239744 1.350438 -2.226101
H -4.279529 -3.229139 -0.097340
H 2.935255 -0.028200 1.933888
H 2.342905 2.261944 1.008614
H 2.422387 1.595168 -0.644195
H -1.704231 -0.288437 3.018619
H -1.479203 -1.320083 -1.189624
H -3.558197 3.045937 0.688704
H 0.775972 0.173618 3.034671
H 0.977477 -0.817280 -1.185958
H 4.740271 -2.755115 -0.797628
H 8.385126 -0.375704 -0.959094
H 8.178918 1.829980 -0.326547
H 6.889221 -3.543051 -1.542785


