%chk=000097856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097856

0 1
 O  -0.7352000       2.757500      0.6661000    
 O    3.406500     -0.2320000     -0.7419000    
 O   -1.923000       1.595100     -0.8789000    
 O    2.170300      -1.094100      0.9597000    
 N  -0.4672000     -0.6381000     -0.5629000    
 N   -1.811200      -2.517300     -0.7010000    
 N   -1.960300      -1.278600       1.206400    
 C  -3.9000001E-02  0.5222000      0.2273000    
 C    1.385000      0.8946000     -0.1672000    
 C   -1.003800       1.648500     -7.2700001E-02
 C    2.335400     -0.2487000      8.9900002E-02
 C   -1.357500      -1.409200     -2.4800001E-02
 H  -5.4699998E-02  0.3229000       1.304600    
 H    1.418900       1.143400      -1.235300    
 H    1.741100       1.765700      0.3931000    
 H   -1.360700       3.487300      0.4699000    
 H   -1.459300      -2.747900      -1.623900    
 H   -2.507400      -3.135800     -0.2994000    
 H   -2.644000      -1.959300       1.520400    
 H   -1.785500     -0.5015000       1.831800    
 H    4.020900     -0.9754000     -0.5627000    


%chk=000097856-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097856

0 1
O -0.614714 2.730115 -0.354972
O 3.459267 -0.208750 -0.782726
O -2.051901 1.627282 1.081498
O 2.388573 -1.023605 1.105667
N -0.521908 -0.591064 -0.540200
N -1.709880 -2.586684 -0.784953
N -2.219197 -1.243349 1.077561
C 0.006759 0.464789 0.364072
C 1.399537 0.869259 -0.149340
C -0.975336 1.636075 0.425183
C 2.410411 -0.219138 0.148076
C -1.457861 -1.411384 -0.074904
H 0.095321 0.091210 1.409913
H 1.364821 1.059503 -1.232303
H 1.751475 1.797595 0.341283
H -1.333443 3.419041 -0.311926
H -1.082373 -2.775779 -1.564042
H -2.647186 -2.983064 -0.808476
H -2.675340 -2.038496 1.518831
H -2.335882 -0.301025 1.463889
H 4.118155 -0.913231 -0.533633


