%chk=000031130.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031130

0 1
 O  -3.9999999E-04  -3.513400      8.9999998E-04
 N   -2.297800      0.4893000     -0.2254000    
 N    2.297800      0.4888000      0.2253000    
 N  -9.9999997E-05  0.3641000      6.0000003E-04
 N   -1.227100      -1.617900     -0.1204000    
 N    1.226800      -1.618100      0.1204000    
 C   -1.192500     -0.3097000     -0.1167000    
 C    1.192400     -0.3098000      0.1172000    
 C   -3.617800     -8.9800000E-02 -0.3556000    
 C   -2.211400       1.909900      3.7900001E-02
 C    3.617900     -9.0599999E-02  0.3540000    
 C    2.211700       1.909700     -3.7400000E-02
 C   -4.224800     -0.3195000       1.015200    
 C   -1.853400       2.655800      -1.233200    
 C    4.223600     -0.3199000      -1.017400    
 C    1.855100       2.655100       1.234300    
 C  -1.9999999E-04  -2.284000      3.0000001E-04
 H   -4.266300      0.5802000     -0.9332000    
 H   -3.588500      -1.031700     -0.9160000    
 H   -3.186100       2.290200      0.3707000    
 H   -1.538600       2.155800      0.8674000    
 H    4.267000      0.5792000      0.9313000    
 H    3.588900      -1.032700      0.9141000    
 H    3.186200       2.289900     -0.3710000    
 H    1.538100       2.156000     -0.8662000    
 H    0.000000       1.369800      1.3000000E-03
 H   -3.610000      -1.000200       1.613500    
 H   -4.328600      0.6146000       1.576200    
 H   -5.220600     -0.7633000      0.9170000    
 H  -0.9011000       2.334200      -1.663400    
 H   -2.621800       2.506100      -1.999900    
 H   -1.786600       3.730100      -1.033200    
 H    3.608100      -1.000200      -1.615400    
 H    4.327100      0.6145000      -1.578100    
 H    5.219500     -0.7639000     -0.9202000    
 H   0.9029000       2.333700       1.665000    
 H    2.624000       2.504700       2.000300    
 H    1.788600       3.729500       1.034900    


%chk=000031130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031130

0 1
O -0.000439 -3.486077 -0.001319
N -2.381324 0.557327 -0.170296
N 2.381365 0.556683 0.170077
N 0.000015 0.557794 0.000004
N -1.231371 -1.498067 -0.077932
N 1.230963 -1.498397 0.076326
C -1.207710 -0.172128 -0.084152
C 1.207589 -0.172457 0.083510
C -3.662475 -0.185397 -0.290847
C -2.431997 2.031135 -0.108995
C 3.662347 -0.186389 0.290229
C 2.432384 2.030504 0.109380
C -4.298783 -0.497844 1.078646
C -2.188669 2.720220 -1.473989
C 4.298526 -0.498386 -1.079426
C 2.189477 2.719082 1.474706
C -0.000295 -2.228174 -0.000953
H -4.344029 0.422617 -0.916325
H -3.446262 -1.128919 -0.817342
H -3.433990 2.306259 0.266074
H -1.722290 2.412209 0.654672
H 4.344069 0.421191 0.915946
H 3.445949 -1.130098 0.816315
H 3.434371 2.305555 -0.265766
H 1.722608 2.412043 -0.653986
H 0.000114 1.575246 0.000604
H -3.633006 -1.161950 1.654758
H -4.483148 0.421486 1.665974
H -5.266210 -1.014405 0.940055
H -1.190593 2.480362 -1.883415
H -2.937368 2.384039 -2.212448
H -2.270640 3.818497 -1.375889
H 3.632577 -1.162107 -1.655782
H 4.483059 0.421155 -1.666374
H 5.265853 -1.015206 -0.941099
H 1.191418 2.479295 1.884220
H 2.938226 2.382418 2.212894
H 2.271692 3.817381 1.377046


