%chk=000017446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017446

0 1
 O   0.4728000     -1.2800000E-02  0.8398000    
 N    3.856800      0.5155000     -0.5155000    
 N    5.044100     -0.2632000     -0.3626000    
 C  -0.8071000      0.1162000      0.3906000    
 C    1.490700      0.6540000      9.6100003E-02
 C   -1.548400      -1.004700      1.6500000E-02
 C    2.790400     -0.1208000      0.2433000    
 C   -1.375100       1.387500      0.3073000    
 C   -2.857600     -0.8541000     -0.4407000    
 C  -0.9569000      -2.373100      9.8999999E-02
 C   -2.684200       1.538100     -0.1498000    
 C   -3.425500      0.4173000     -0.5239000    
 H    1.213300      0.7178000     -0.9648000    
 H    1.605500       1.671000      0.4897000    
 H    3.050100     -0.1778000       1.308700    
 H    2.627000      -1.153900     -9.2200004E-02
 H  -0.8136000       2.269400      0.6032000    
 H   -3.448900      -1.716800     -0.7361000    
 H  -7.7100001E-02  -2.446100     -0.5488000    
 H  -0.6635000      -2.599300       1.129500    
 H   -1.665600      -3.145500     -0.2186000    
 H   -3.127300       2.527800     -0.2127000    
 H   -4.445000      0.5347000     -0.8794000    
 H    3.605900      0.5556000      -1.502800    
 H    4.930100      -1.154400     -0.8449000    
 H    5.811600      0.2128000     -0.8352000    


%chk=000017446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017446

0 1
O 0.506170 -0.559451 -0.074990
N 3.999748 0.641444 -0.421360
N 5.282071 0.204161 0.003920
C -0.829976 -0.115198 -0.097075
C 1.568470 0.448903 -0.206067
C -1.808253 -1.145481 0.035490
C 2.902349 -0.304314 -0.119584
C -1.206696 1.241930 -0.238899
C -3.168763 -0.765619 0.021915
C -1.374700 -2.588993 0.187110
C -2.578147 1.587620 -0.248146
C -3.563832 0.587451 -0.117887
H 1.468463 0.972514 -1.181938
H 1.499183 1.198718 0.605682
H 3.065426 -0.676340 0.904179
H 2.864219 -1.189142 -0.797458
H -0.451850 2.027408 -0.338970
H -3.931436 -1.547310 0.123486
H -0.759895 -2.913408 -0.672627
H -0.743893 -2.722902 1.085309
H -2.248618 -3.257850 0.267803
H -2.868009 2.638855 -0.356453
H -4.626496 0.852259 -0.123960
H 3.970280 0.978253 -1.397655
H 5.806970 -0.429090 -0.610516
H 5.829714 0.930780 0.464393


