%chk=000041907.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041907

0 1
 O   0.9290000       2.546200     -0.9748000    
 O   -2.032600       2.140100      0.6961000    
 O   -1.231700       4.795600      0.9295000    
 O   -3.218700      -3.999700      0.7540000    
 O   -4.456000      -3.509300      -1.088600    
 C    4.231600      -1.872100      0.2098000    
 C    3.331500     -0.6680000     -0.1129000    
 C    5.137000      -1.662500       1.444800    
 C    3.357700      -3.113700      0.4909000    
 C    5.158100      -2.164500     -0.9903000    
 C    2.488600     -0.7562000      -1.192200    
 C    3.412300      0.4398000      0.6928000    
 C    1.725900       1.480400     -0.6892000    
 C    1.672200      0.3362000      -1.485300    
 C    2.595900       1.532200      0.3998000    
 C  -0.8257000       4.011900     -0.1949000    
 C   0.5156000       3.360200      0.1216000    
 C   -1.904300       2.968500     -0.4547000    
 C   -2.444300      0.8512000      0.4841000    
 C   -3.279500      0.5624000     -0.5897000    
 C   -2.023400     -0.1570000       1.344600    
 C   -3.280300      -1.766400      5.3500000E-02
 C   -3.698800     -0.7503000     -0.8057000    
 C   -2.442600      -1.469800       1.128600    
 C   -3.717400      -3.135000     -0.1717000    
 H    4.553700      -1.493500       2.357700    
 H    5.829800     -0.8237000       1.308500    
 H    5.754700      -2.550600       1.628800    
 H    2.764600      -3.413600     -0.3798000    
 H    3.975400      -3.976600      0.7668000    
 H    2.660000      -2.926700       1.316000    
 H    5.841000      -2.993000     -0.7686000    
 H    4.600400      -2.444900      -1.890500    
 H    5.768200      -1.288400      -1.240500    
 H    2.429400      -1.635300      -1.824700    
 H    4.072700      0.5362000       1.545000    
 H   0.9950000      0.2901000      -2.333800    
 H    2.689400       2.413700       1.027200    
 H  -0.7369000       4.670700      -1.065200    
 H    1.264600       4.143900      0.2907000    
 H   0.4245000       2.786900       1.054400    
 H   -2.864900       3.470700     -0.6202000    
 H   -1.632200       2.399000      -1.352300    
 H   -1.347600       4.195100       1.685800    
 H   -3.652000       1.327500      -1.263900    
 H   -1.369600      7.0400000E-02   2.181800    
 H   -4.356700     -0.9603000      -1.645100    
 H   -2.092300      -2.229800       1.821400    
 H   -3.518700      -4.919700      0.5929000    


%chk=000041907-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041907

0 1
O 1.010653 1.653611 -0.786047
O -2.393296 1.603500 0.559383
O -1.280113 4.131308 0.744735
O -6.982286 -2.656397 1.801403
O -7.214976 -2.646575 -0.509968
C 5.808745 -1.560898 -0.110705
C 4.534522 -0.691578 -0.230709
C 6.422349 -1.511090 1.312045
C 5.458702 -3.044025 -0.439798
C 6.880171 -1.051628 -1.122243
C 3.841866 -0.612444 -1.473650
C 4.002971 0.053610 0.848488
C 2.175138 0.902006 -0.532056
C 2.683211 0.166957 -1.630643
C 2.837598 0.846338 0.714167
C -0.775902 3.174757 -0.245650
C 0.454965 2.445067 0.321633
C -1.881742 2.210994 -0.691226
C -3.433673 0.673014 0.480041
C -4.028885 0.250993 -0.737204
C -3.880390 0.149748 1.721108
C -5.526992 -1.222796 0.534680
C -5.070949 -0.693912 -0.699259
C -4.920047 -0.791689 1.746596
C -6.627284 -2.213616 0.512861
H 5.718470 -1.892735 2.074842
H 6.718968 -0.483639 1.593684
H 7.329003 -2.142575 1.347625
H 5.046126 -3.148912 -1.459304
H 6.364944 -3.675553 -0.374156
H 4.708721 -3.438018 0.270304
H 7.794886 -1.670569 -1.055365
H 6.513969 -1.100444 -2.163542
H 7.154006 -0.002083 -0.909206
H 4.213526 -1.170009 -2.341253
H 4.495773 0.029144 1.824850
H 2.160471 0.221850 -2.590823
H 2.467171 1.405424 1.578867
H -0.463235 3.779232 -1.114244
H 1.188381 3.195295 0.674231
H 0.166215 1.782737 1.162643
H -2.700309 2.763657 -1.190075
H -1.469384 1.431187 -1.357741
H -1.818008 3.618172 1.404012
H -3.689890 0.644302 -1.699249
H -3.399430 0.491613 2.642341
H -5.546884 -1.036494 -1.623949
H -5.273353 -1.203157 2.695745
H -7.721894 -3.315382 1.714282


