%chk=000029186.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029186

0 1
 O   0.8079000     -0.6359000     -0.8535000    
 N    3.329100      0.1095000      0.1507000    
 N    4.961300     -0.2348000       1.757900    
 N    5.634000     -0.2538000     -0.4198000    
 C  -0.6147000     -0.4522000     -0.9778000    
 C   -1.073800      0.8643000     -0.4483000    
 C   -1.326200      -1.647400     -0.3536000    
 C   -1.619500       1.812700      -1.313500    
 C  -0.9575000       1.147200      0.9127000    
 C    1.507600      0.4543000      -1.421900    
 C   -2.551400      -2.028800     -0.8580000    
 C  -0.7213000      -2.307900      0.6945000    
 C   -1.932300       3.326700      0.5428000    
 C   -2.048500       3.043900     -0.8180000    
 C   -1.386800       2.378300       1.408300    
 C    3.000600      0.2263000      -1.272600    
 C   -3.202500      -3.122300     -0.2871000    
 C   -1.372400      -3.401600       1.265200    
 C   -2.613000      -3.808700      0.7743000    
 C   -2.392100       4.642600       1.072800    
 C    4.571500     -0.1123000      0.4449000    
 H  -0.8186000     -0.5081000      -2.057200    
 H   -1.717000       1.607800      -2.376300    
 H  -0.5235000      0.4313000       1.604300    
 H    1.259400      0.5468000      -2.485700    
 H    1.275600       1.397500     -0.9169000    
 H   -3.017400      -1.499000      -1.683200    
 H   0.2388000      -2.005300       1.100500    
 H   -2.473500       3.773800      -1.501900    
 H   -1.289700       2.587600       2.470300    
 H    3.541100       1.063500      -1.729000    
 H    3.268900     -0.7028000      -1.790400    
 H   -4.168700      -3.439100     -0.6688000    
 H  -0.9148000      -3.934900       2.093300    
 H   -3.120200      -4.659800       1.219200    
 H   -1.799200       4.947500       1.941800    
 H   -2.285200       5.431100      0.3201000    
 H   -3.443800       4.581300       1.369600    
 H    4.289200     -0.1547000       2.513200    
 H    5.927800     -0.4091000       2.010200    
 H    6.571200     -0.4265000     -7.2200000E-02
 H    5.525000     -0.1905000      -1.425700    


%chk=000029186-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029186

0 1
O 1.156629 -0.528787 -1.079052
N 3.898415 0.925566 -0.352223
N 4.466991 0.792262 1.916241
N 2.952098 -0.802577 1.079610
C -0.316039 -0.412859 -1.179788
C -0.829262 0.884124 -0.560099
C -0.890863 -1.691593 -0.554537
C -1.788911 1.671915 -1.235240
C -0.364344 1.316998 0.708134
C 1.907697 0.465297 -1.879051
C -2.121121 -1.682554 0.147784
C -0.210280 -2.924356 -0.730343
C -1.828036 3.300519 0.611654
C -2.286605 2.862057 -0.655046
C -0.856049 2.506751 1.279969
C 3.408893 0.281402 -1.585403
C -2.660152 -2.882051 0.667036
C -0.746002 -4.121347 -0.206702
C -1.975191 -4.105856 0.493410
C -2.340393 4.587639 1.235035
C 3.748727 0.313737 0.807206
H -0.579926 -0.407742 -2.263634
H -2.152291 1.356077 -2.221816
H 0.396301 0.724865 1.230044
H 1.693993 0.282037 -2.954974
H 1.588525 1.491723 -1.612053
H -2.655904 -0.738167 0.294843
H 0.742145 -2.931913 -1.269603
H -3.032137 3.458467 -1.194721
H -0.480042 2.831722 2.258283
H 3.956263 0.744687 -2.429169
H 3.619546 -0.814175 -1.617583
H -3.612083 -2.858391 1.209667
H -0.206944 -5.065382 -0.347014
H -2.392560 -5.034829 0.898157
H -1.534594 5.342238 1.312583
H -3.156453 5.029695 0.638044
H -2.722741 4.415684 2.258415
H 5.102437 1.562146 1.712044
H 4.042081 0.756076 2.841797
H 3.174413 -1.424888 1.853328
H 2.209166 -1.037716 0.409967


