%chk=000114616.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114616

0 1
 O   -1.569200     -0.9561000     -0.9880000    
 N   -1.678800       1.763100      3.2699998E-02
 N   -1.163400      -1.343800       1.239500    
 C    1.809600      0.1844000     -0.3952000    
 C   0.5983000       1.121200     -0.5928000    
 C  -0.5924000      0.8282000      0.3331000    
 C    2.343800      0.2128000       1.037500    
 C    1.420300      -1.248100     -0.7715000    
 C   -1.168200     -0.5617000      0.1047000    
 H    2.603400      0.5209000      -1.073700    
 H   0.2821000       1.066800      -1.643800    
 H   0.9335000       2.154200     -0.4280000    
 H  -0.3036000      0.9675000       1.379700    
 H    1.635600     -0.2072000       1.757900    
 H    2.575300       1.238300       1.343500    
 H    3.267500     -0.3721000       1.108600    
 H   0.8159000      -1.293700      -1.681800    
 H   0.9647000      -1.817900      3.7700001E-02
 H    2.341900      -1.798700      -1.003800    
 H   -1.349500       2.720200      0.1540000    
 H   -2.434100       1.636900      0.7059000    
 H  -0.8198000      -1.010500       2.134300    
 H   -1.512300      -2.296200       1.214900    


%chk=000114616-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114616

0 1
O -1.616508 -0.883693 -1.258176
N -1.504206 1.751198 0.547906
N -1.923133 -1.359519 0.989822
C 1.878677 0.193991 -0.461529
C 0.543174 0.980993 -0.593785
C -0.562789 0.624318 0.428464
C 2.667685 0.581608 0.814195
C 1.687580 -1.339322 -0.553907
C -1.391851 -0.602627 -0.048751
H 2.494859 0.501273 -1.333004
H 0.111146 0.830975 -1.600844
H 0.770003 2.062945 -0.492684
H -0.085065 0.355429 1.405819
H 2.126053 0.286601 1.733483
H 2.845361 1.672753 0.860737
H 3.651118 0.075821 0.835267
H 1.115183 -1.617827 -1.456141
H 1.137367 -1.729993 0.324104
H 2.667025 -1.852273 -0.585361
H -1.088071 2.682353 0.568078
H -2.314765 1.625225 1.154905
H -1.691822 -1.174154 1.964520
H -2.516420 -2.157574 0.762282


