%chk=000029900.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029900

0 1
 O   0.7957000      -2.257900     -0.8410000    
 N   -4.242400      -1.348900     -5.1500000E-02
 N  -0.7774000     -0.5321000     -0.4444000    
 N    1.525100     -6.1000001E-02 -0.6400000    
 C   -1.942200      -1.373500     -0.4232000    
 C   -2.221800      -1.968900      0.9587000    
 C   -3.213200     -0.6117000     -0.7852000    
 C   -3.663600      -1.585900       1.271200    
 C   -5.502600     -0.6236000      1.6300000E-02
 C  -0.9340000      0.8974000     -0.1539000    
 C   0.5485000      -1.064600     -0.6601000    
 C   -1.101000       1.736100      -1.212000    
 C  -0.9013000       1.277900       1.151900    
 C   -1.250300       3.095200     -0.9360000    
 C   -1.050700       2.637100       1.427700    
 C    2.877300     -0.1791000     -0.2366000    
 C   -1.225300       3.545600      0.3837000    
 C    3.698200      0.9349000     -0.2872000    
 C    3.348800      -1.405500      0.2001000    
 C    5.030100      0.8190000      0.1105000    
 C    4.680800      -1.521400      0.5979000    
 C    5.521300     -0.4091000      0.5531000    
 H   -1.784500      -2.198700      -1.130300    
 H   -1.537200      -1.629000       1.741500    
 H   -2.131300      -3.061100      0.9036000    
 H   -3.251000      0.4316000     -0.4646000    
 H   -3.393400     -0.6381000      -1.865700    
 H   -4.184200      -2.382600       1.811800    
 H   -3.677100     -0.6784000       1.888500    
 H   -6.248800      -1.209200      0.5643000    
 H   -5.902400     -0.4588000     -0.9901000    
 H   -5.403000      0.3501000      0.5097000    
 H   -1.119200       1.384700      -2.238100    
 H  -0.7566000      0.5771000       1.965900    
 H    1.258500      0.8799000     -0.9093000    
 H   -1.385700       3.802600      -1.748900    
 H   -1.029000       2.988300       2.455200    
 H   -1.340900       4.603900      0.5986000    
 H    3.325400       1.896300     -0.6296000    
 H    2.740300      -2.296200      0.2845000    
 H    5.684500       1.685100      7.6200001E-02
 H    5.062700      -2.475800      0.9490000    
 H    6.557900     -0.4990000      0.8645000    


%chk=000029900-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029900

0 1
O 0.654945 -2.186565 -0.023834
N -4.133897 -1.738143 -0.300432
N -0.748799 -0.325496 0.284104
N 1.583339 -0.021603 0.038366
C -1.935819 -1.216543 0.334211
C -2.826654 -1.076144 1.613741
C -2.942231 -1.047199 -0.833125
C -4.284409 -1.267567 1.103708
C -5.347069 -1.639637 -1.119836
C -0.897262 1.105351 0.431975
C 0.518887 -0.930159 0.092207
C -1.185105 1.918416 -0.695520
C -0.741288 1.709873 1.707326
C -1.328162 3.316201 -0.545066
C -0.883962 3.108449 1.853933
C 2.963789 -0.302761 -0.152299
C -1.181004 3.913414 0.729162
C 3.849937 0.810713 -0.170502
C 3.485980 -1.613752 -0.323060
C 5.233499 0.619960 -0.357040
C 4.874820 -1.786135 -0.508696
C 5.758312 -0.682604 -0.528011
H -1.521389 -2.235958 0.281869
H -2.707798 -0.080982 2.075118
H -2.541679 -1.832829 2.363170
H -3.135705 0.038418 -1.037127
H -2.587913 -1.522567 -1.764549
H -4.856962 -2.005520 1.693885
H -4.837033 -0.294288 1.149668
H -6.157219 -2.233916 -0.659677
H -5.156043 -2.051697 -2.126807
H -5.716460 -0.587874 -1.238165
H -1.279391 1.449193 -1.680437
H -0.501846 1.077096 2.568989
H 1.344801 0.967582 0.143014
H -1.549367 3.937334 -1.419910
H -0.763044 3.566921 2.841485
H -1.292361 4.997164 0.843747
H 3.451683 1.825609 -0.038429
H 2.803160 -2.464756 -0.308642
H 5.900584 1.489358 -0.368587
H 5.267718 -2.800985 -0.640085
H 6.833417 -0.832673 -0.673143


