%chk=000004518.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004518

0 1
 O   0.1104000      0.8709000       1.988800    
 O  -0.3001000       2.083000      -1.330600    
 N   4.0700000E-02 -0.3944000     -0.2181000    
 N   -3.574900      -1.339600     -8.2199998E-02
 N  -9.8999999E-03  0.8766000      0.5661000    
 N    3.709600      -1.088300     -0.1641000    
 N  -0.1966000       2.177200     -0.1025000    
 C   -1.131200      -1.259400     -6.4400002E-02
 C    1.264600      -1.191900     -0.1201000    
 C   -2.402500     -0.4375000     -0.1936000    
 C    2.489800     -0.2967000     -0.2794000    
 H   -1.116400      -1.762200      0.9112000    
 H   -1.121500      -2.037700     -0.8377000    
 H    1.271900      -1.959700     -0.9041000    
 H    1.309000      -1.706400      0.8489000    
 H   -2.481100      5.2900001E-02  -1.168900    
 H   -2.527900      0.3017000      0.6019000    
 H    2.532400      0.4862000      0.4836000    
 H    2.477100      0.1935000      -1.259500    
 H   -4.455500     -0.8151000     -0.1695000    
 H   -3.596100      -1.824200      0.8252000    
 H   -3.572800      -2.057900     -0.8187000    
 H    3.754000      -1.519200      0.7585000    
 H    4.519800     -0.4735000     -0.2314000    


%chk=000004518-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004518

0 1
O 0.468958 1.135858 1.656867
O -1.265617 1.353163 -1.439185
N -0.184502 -0.603505 0.080366
N -2.761203 -0.667031 -0.940876
N -0.106973 0.860429 0.511387
N 3.511277 -1.232160 -0.478130
N -0.617434 1.819732 -0.281378
C -1.226325 -1.276022 0.913632
C 1.174111 -1.203056 0.264149
C -2.631663 -0.760988 0.551508
C 2.199869 -0.587215 -0.704235
H -1.046579 -1.142531 2.003176
H -1.149769 -2.356584 0.686488
H 1.081761 -2.281052 0.041139
H 1.520929 -1.087964 1.314036
H -2.790466 0.253851 0.958854
H -3.390861 -1.429897 1.002062
H 2.211250 0.518083 -0.574783
H 1.878827 -0.791204 -1.741176
H -3.709815 -0.397470 -1.235965
H -2.476136 -1.539106 -1.408394
H -1.809174 0.395534 -1.288567
H 3.949053 -0.966251 0.410336
H 4.163281 -1.136315 -1.261911


