%chk=000094714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094714

0 1
 O   0.1525000      -2.081800      0.3704000    
 O    4.725300     -0.2890000     -4.1000000E-03
 O    3.539700       1.631600     -0.3375000    
 C   -1.329300     -0.2871000      7.2099999E-02
 C   -1.540300       1.041800      0.4400000    
 C   -2.394200      -1.059900     -0.3910000    
 C   6.0000003E-04 -0.8667000      0.1710000    
 C   -2.816000       1.597700      0.3448000    
 C   -3.669900     -0.5040000     -0.4865000    
 C   -3.880900      0.8249000     -0.1186000    
 C    1.193300      3.0099999E-02 -4.6000001E-03
 C    2.433000     -0.4700000      6.3600004E-02
 C    3.586100      0.4327000     -0.1196000    
 H  -0.7484000       1.668400      0.8391000    
 H   -2.249200      -2.095900     -0.6864000    
 H   -2.982600       2.629800      0.6389000    
 H   -4.498900      -1.105500     -0.8477000    
 H   -4.874600       1.257300     -0.1912000    
 H    1.033000       1.077700     -0.2305000    
 H    2.628800      -1.517600      0.2644000    
 H    5.525500      0.2670000     -0.1176000    


%chk=000094714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094714

0 1
O 0.169202 -2.092844 -0.333116
O 4.858520 -0.361113 0.033063
O 3.682601 1.632458 0.294852
C -1.341931 -0.227022 -0.089427
C -1.570065 1.163584 0.110323
C -2.461138 -1.094075 -0.239342
C 0.025275 -0.840872 -0.151102
C -2.886367 1.670442 0.158037
C -3.772558 -0.587087 -0.191490
C -3.989638 0.799153 0.007591
C 1.230810 0.035660 0.004678
C 2.489761 -0.483075 -0.041352
C 3.677744 0.389831 0.113929
H -0.735780 1.861184 0.230061
H -2.266228 -2.160791 -0.391622
H -3.051246 2.742136 0.312050
H -4.625717 -1.263919 -0.308037
H -5.010372 1.195676 0.044791
H 1.118408 1.113971 0.158901
H 2.649958 -1.555387 -0.193855
H 5.642259 0.243592 0.140068


