%chk=000003866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003866

0 1
 O    3.389100      0.3786000      3.5000001E-03
 O    1.615600       1.227600       1.121000    
 N    1.583000      -1.774500     -0.5611000    
 C    1.161300     -0.3650000     -0.6397000    
 C  -0.2838000     -0.1713000     -0.3248000    
 C  -0.9077000     -0.9881000      0.6181000    
 C   -1.011200      0.8264000     -0.9735000    
 C    2.062100      0.4760000      0.2599000    
 C   -2.259200     -0.8074000      0.9123000    
 C   -2.362700       1.007300     -0.6793000    
 C   -2.986600      0.1904000      0.2636000    
 H    1.345100     -2.6900001E-02  -1.668000    
 H  -0.3646000      -1.762700       1.152500    
 H  -0.5374000       1.471500      -1.708600    
 H   -2.744400      -1.440600       1.649300    
 H   -2.929100       1.784700      -1.183700    
 H    2.560300      -1.849600     -0.8425000    
 H    1.055700      -2.322300      -1.240800    
 H   -4.038600      0.3321000      0.4936000    
 H    3.919500      0.9578000      0.5913000    


%chk=000003866-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003866

0 1
O 3.268597 -0.007947 0.466698
O 1.815161 1.794076 0.348072
N 1.624886 -1.725968 -0.651684
C 1.184767 -0.337007 -0.766391
C -0.296091 -0.164273 -0.384083
C -0.893699 -1.039247 0.553665
C -1.065519 0.875872 -0.956610
C 2.065458 0.602837 0.078214
C -2.248947 -0.873009 0.916664
C -2.420427 1.043472 -0.593263
C -3.016366 0.168464 0.344781
H 1.299939 0.085258 -1.799330
H -0.282299 -1.844185 0.974817
H -0.604398 1.561074 -1.678231
H -2.706152 -1.553633 1.644116
H -3.009454 1.852043 -1.040468
H 2.627089 -1.863128 -0.517639
H 1.176802 -2.372849 -1.301586
H -4.068200 0.296146 0.625029
H 3.815253 0.646004 0.980330


