%chk=000094817.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094817

0 1
 O   -2.150100      -1.198000      -1.167300    
 O   -2.529900     -0.7815000       1.029300    
 N   -1.415200       1.671800      0.9169000    
 C   0.9004000     -0.1745000      0.2289000    
 C    2.362100     -0.3896000     -0.2090000    
 C   7.3200002E-02  0.6244000     -0.7865000    
 C   -1.365600      0.8899000     -0.3186000    
 C    3.032000      0.9629000     -0.4637000    
 C    3.169900      -1.180500      0.8208000    
 C   -2.076800     -0.4250000     -5.0799999E-02
 H   0.4436000      -1.158600      0.3889000    
 H   0.8944000      0.3348000       1.200600    
 H    2.367600     -0.9580000      -1.147700    
 H   0.5348000       1.598600     -0.9800000    
 H   6.2899999E-02  8.6599998E-02  -1.742500    
 H   -1.921500       1.427400      -1.095100    
 H    4.107700      0.8345000     -0.6298000    
 H    2.905500       1.641400      0.3869000    
 H    2.638400       1.449400      -1.361000    
 H    3.223300     -0.6480000       1.776400    
 H    4.192600      -1.352000      0.4687000    
 H    2.710100      -2.157400       1.003000    
 H   -2.383300       1.903500       1.136900    
 H  -0.9349000       2.559800      0.7770000    
 H   -2.602800      -2.050400     -0.9920000    


%chk=000094817-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094817

0 1
O -2.122876 -1.315952 -1.045184
O -2.710040 -0.599767 1.081369
N -1.411739 1.809504 0.758162
C 0.925813 -0.120866 0.176369
C 2.408522 -0.323735 -0.237761
C 0.060097 0.587400 -0.884106
C -1.389988 0.900359 -0.388542
C 3.170215 1.019461 -0.356286
C 3.121844 -1.255788 0.771104
C -2.133090 -0.378090 -0.007271
H 0.484103 -1.115903 0.394935
H 0.880032 0.463815 1.116816
H 2.424126 -0.818811 -1.233174
H 0.512116 1.559084 -1.160632
H -0.004136 -0.025697 -1.803625
H -1.945089 1.305925 -1.268279
H 4.227782 0.849922 -0.632516
H 3.153847 1.557973 0.611031
H 2.728076 1.683550 -1.121082
H 3.118456 -0.807454 1.783645
H 4.175395 -1.430224 0.482514
H 2.618016 -2.238504 0.836260
H -2.019381 1.524866 1.529423
H -1.407625 2.805334 0.543952
H -2.626076 -2.124904 -0.756822


