%chk=000030714.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030714

0 1
 O    4.928600       1.266400      0.5120000    
 N    1.041800     -0.3280000     -0.1807000    
 N    1.398200      -1.591100     -0.4890000    
 N  -0.5996000       1.316100     -0.4816000    
 C    2.109400      0.4794000      0.1074000    
 C  -0.2961000      3.5999998E-02 -0.1786000    
 C    3.228400     -0.3067000     -2.1500001E-02
 C   -2.588700     -0.5776000      0.1383000    
 C   -1.235400     -0.9351000      0.1335000    
 C   -2.944900      0.7508000     -0.1735000    
 C    2.730000      -1.570700     -0.3899000    
 C    1.963900       1.903600      0.4734000    
 C   -1.911900       1.641600     -0.4720000    
 C    4.583800      0.1062000      0.1827000    
 C   -3.600400      -1.502500      0.4442000    
 C   -4.297500       1.129400     -0.1743000    
 C   -4.941600      -1.115100      0.4405000    
 C   -5.289300      0.1980000      0.1320000    
 C    5.721300     -0.9006000     -3.0000000E-03
 H  -0.9518000      -1.953800      0.3857000    
 H    3.274900      -2.482000     -0.5920000    
 H    1.159300       2.056300       1.200500    
 H    2.859800       2.304700      0.9526000    
 H    1.770700       2.516400     -0.4130000    
 H   -2.116900       2.679300     -0.7203000    
 H   -3.352400      -2.533400      0.6881000    
 H   -4.586400       2.150500     -0.4128000    
 H   -5.715100      -1.839300      0.6787000    
 H   -6.333400      0.4969000      0.1299000    
 H    5.597700      -1.729200      0.6994000    
 H    6.681600     -0.4149000      0.1937000    
 H    5.720400      -1.271300      -1.031400    


%chk=000030714-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030714

0 1
O 5.133209 1.328394 0.045520
N 1.060001 -0.221326 0.055681
N 1.413679 -1.592582 0.054109
N -0.681212 1.414285 0.061644
C 2.175430 0.619304 0.052693
C -0.341806 0.078711 0.058549
C 3.302291 -0.249202 0.048797
C -2.667997 -0.638330 0.059747
C -1.277701 -0.963755 0.057574
C -3.045741 0.760009 0.062720
C 2.762247 -1.582388 0.049835
C 2.155116 2.117337 0.053348
C -1.988270 1.727010 0.063544
C 4.732214 0.122102 0.045607
C -3.702036 -1.633244 0.059064
C -4.430443 1.123976 0.064727
C -5.045052 -1.251746 0.061091
C -5.414973 0.133865 0.063880
C 5.744307 -1.024433 0.041672
H -0.930993 -1.998716 0.055108
H 3.297426 -2.530781 0.047714
H 1.612511 2.509548 0.930063
H 3.195422 2.474655 0.056530
H 1.620408 2.509909 -0.828449
H -2.228800 2.797756 0.066282
H -3.422428 -2.692795 0.056898
H -4.704470 2.185692 0.066840
H -5.830277 -2.015623 0.060587
H -6.475288 0.408106 0.065313
H 5.618755 -1.665375 0.934340
H 6.761357 -0.604149 0.037510
H 5.611515 -1.665913 -0.849537


