%chk=000078613.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078613

0 1
 O   -2.844800       1.204000     -0.3532000    
 O    3.360700       1.571000      9.1399997E-02
 O    3.184100     -0.6153000      0.1808000    
 N    2.674100      0.5242000      8.9400001E-02
 C   0.4198000     -0.4938000     -3.0600000E-02
 C  -0.9798000     -0.3163000     -0.1431000    
 C    1.256500      0.6343000     -2.0600000E-02
 C   -1.501500      0.9837000     -0.2425000    
 C   0.9414000      -1.793900      6.8800002E-02
 C   -1.816500      -1.444300     -0.1530000    
 C   0.7208000       1.918500     -0.1204000    
 C  -0.6555000       2.092900     -0.2311000    
 C   9.5299996E-02  -2.903100      5.7300001E-02
 C   -1.281000      -2.728700     -5.3300001E-02
 C   -3.573600       1.366700      0.8601000    
 H    1.961100      -2.122800      0.1602000    
 H   -2.895900      -1.347300     -0.2441000    
 H    1.338600       2.813000     -0.1163000    
 H   -1.064500       3.096800     -0.3094000    
 H   0.5073000      -3.905600      0.1343000    
 H   -1.938800      -3.593000     -6.3699998E-02
 H   -4.635000       1.455800      0.6127000    
 H   -3.257500       2.280400       1.373400    
 H   -3.440700      0.5036000       1.519900    


%chk=000078613-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078613

0 1
O -2.970100 0.692788 0.350493
O 3.273726 1.812687 0.055241
O 3.413318 -0.448766 -0.071286
N 2.717058 0.640541 0.019820
C 0.491343 -0.673044 0.001603
C -0.955989 -0.574610 0.091852
C 1.243092 0.566103 0.092806
C -1.583214 0.715595 0.270930
C 1.054770 -1.982036 -0.178171
C -1.765662 -1.750475 0.002773
C 0.593826 1.798207 0.263189
C -0.812871 1.886551 0.355337
C 0.236173 -3.113880 -0.262321
C -1.181578 -3.006103 -0.171750
C -3.678280 1.968127 0.527227
H 2.137147 -2.080148 -0.245303
H -2.850546 -1.638325 0.073049
H 1.210443 2.698320 0.324182
H -1.275810 2.866054 0.495718
H 0.698792 -4.097340 -0.399675
H -1.807386 -3.902079 -0.239736
H -4.743603 1.699690 0.553655
H -3.482303 2.650635 -0.320793
H -3.387745 2.452308 1.478160


