%chk=000019619.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019619

0 1
 O   -4.211700       1.621100      0.2724000    
 N    4.039100     -0.1228000     -1.2500000E-02
 N   -4.887000     -0.5290000     -0.1054000    
 N   -1.967000      -2.541900     -0.4311000    
 C    2.651500      0.1274000      2.6100000E-02
 C  -9.3500003E-02  0.6196000      0.1015000    
 C    1.968700      8.6000003E-02   1.241700    
 C    1.961800      0.4148000      -1.151800    
 C   0.5962000      0.3319000       1.279400    
 C   0.5894000      0.6610000      -1.114200    
 C    4.652000      -1.010200      0.9558000    
 C    4.867900      0.4933000      -1.029600    
 C   -1.524500      0.8763000      0.1415000    
 C   -2.507800     -4.7300000E-02 -4.1000000E-03
 C   -3.927400      0.4426000      6.9499999E-02
 C   -2.207800      -1.423000     -0.2392000    
 H    2.477700     -0.1232000       2.178300    
 H    2.460700      0.4428000      -2.116300    
 H   7.8299999E-02  0.2988000       2.235000    
 H   6.5300003E-02  0.8817000      -2.041100    
 H    4.806600     -0.4959000       1.910200    
 H    5.630800      -1.359500      0.6081000    
 H    4.040600      -1.903900       1.124200    
 H    5.924300      0.4816000     -0.7386000    
 H    4.597000       1.543500      -1.186600    
 H    4.782200     -4.5600001E-02  -1.979000    
 H   -1.769900       1.922400      0.3130000    
 H   -4.677600      -1.507300     -0.2733000    
 H   -5.872200     -0.2875000     -7.0600003E-02


%chk=000019619-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019619

0 1
O -4.167103 0.598918 1.578826
N 4.152909 -0.058714 0.017792
N -5.067254 -0.053837 -0.460275
N -2.536273 -0.827681 -2.703654
C 2.770043 0.005241 0.145472
C -0.109918 0.138188 0.397608
C 2.151862 0.412587 1.375540
C 1.904730 -0.334114 -0.950998
C 0.759354 0.473098 1.484780
C 0.514449 -0.268573 -0.825418
C 5.018362 0.290277 1.155430
C 4.762436 -0.470198 -1.257224
C -1.536668 0.237423 0.621229
C -2.622801 -0.012214 -0.205827
C -4.001229 0.204441 0.382904
C -2.536196 -0.455374 -1.560968
H 2.763912 0.681024 2.240415
H 2.328591 -0.651922 -1.907234
H 0.313914 0.788289 2.436602
H -0.098495 -0.537460 -1.690175
H 4.833164 -0.368859 2.026593
H 4.865869 1.339297 1.478273
H 6.072814 0.175193 0.861392
H 4.463787 -1.498828 -1.540466
H 5.858819 -0.449464 -1.161564
H 4.478944 0.210692 -2.083845
H -1.847559 0.569968 1.624431
H -4.938216 -0.371276 -1.420706
H -6.008549 0.081578 -0.095631