%chk=000091299.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091299

0 1
 O   -3.478400      -1.932200      -1.049200    
 O   -3.389800      -1.339900       1.142700    
 N    1.037700      0.6186000     -0.2115000    
 N    1.431000     -0.3140000      0.5153000    
 N  -0.7069000       3.280300      -1.265700    
 C  -3.8800001E-02   1.380400      0.4287000    
 C    2.505200      -1.073400     -0.1226000    
 C   -1.224200      0.4532000      0.7661000    
 C   -1.846200     -0.3145000     -0.4061000    
 C   0.5276000       2.002900       1.708300    
 C    3.672900     -0.1247000     -0.3914000    
 C    2.926100      -2.186100      0.8368000    
 C    1.970900      -1.661800      -1.428000    
 C  -0.4124000       2.441400     -0.5196000    
 C   -2.974700      -1.230400     -3.8000001E-03
 H   -2.017500       1.052900       1.235800    
 H  -0.9249000     -0.2749000       1.533000    
 H   -2.245200      0.3915000      -1.142500    
 H   -1.084100     -0.9325000     -0.8918000    
 H    1.425700       2.597800       1.500000    
 H  -0.2042000       2.672000       2.177000    
 H   0.8018000       1.248200       2.454400    
 H    3.993500      0.3789000      0.5280000    
 H    4.535000     -0.6715000     -0.7900000    
 H    3.420800      0.6542000      -1.120200    
 H    2.084500      -2.850600       1.063900    
 H    3.278500      -1.773700       1.789200    
 H    3.732200      -2.794400      0.4126000    
 H    1.696400     -0.8896000      -2.155600    
 H    2.724500      -2.299600      -1.903900    
 H    1.080700      -2.276100      -1.250100    
 H   -4.208100      -2.526900     -0.7733000    


%chk=000091299-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091299

0 1
O -3.491577 -1.699819 -1.282133
O -3.588324 -1.247889 0.992713
N 1.246927 0.775259 0.106428
N 1.257976 -0.503907 0.163628
N -0.753113 3.268973 -1.136883
C -0.066630 1.394982 0.644952
C 2.559225 -1.151172 -0.287542
C -1.239450 0.404829 0.881209
C -1.822053 -0.208837 -0.403495
C 0.356932 2.081588 1.975513
C 3.652497 -0.154865 -0.721679
C 3.010510 -1.995522 0.932629
C 2.141108 -2.080224 -1.457334
C -0.436229 2.433797 -0.346430
C -3.029837 -1.075517 -0.113306
H -2.034742 0.931074 1.439147
H -0.861769 -0.403894 1.531438
H -2.135943 0.570653 -1.125259
H -1.068188 -0.827958 -0.921940
H 1.251202 2.706714 1.819135
H -0.460532 2.716152 2.356957
H 0.588533 1.305716 2.725894
H 3.937263 0.516358 0.106863
H 4.547371 -0.716396 -1.045403
H 3.310575 0.479279 -1.557358
H 2.196853 -2.660448 1.270870
H 3.305249 -1.345480 1.775816
H 3.879791 -2.616866 0.652517
H 1.810971 -1.490738 -2.331285
H 3.001221 -2.702342 -1.762687
H 1.316637 -2.748466 -1.152312
H -4.292854 -2.249535 -1.064162


