%chk=000033296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033296

0 1
 O    4.123000      0.7804000       1.393900    
 N    3.332300     -0.2486000     -0.5745000    
 N   -5.629300     -0.5131000      0.6323000    
 N   -2.617400       2.359000     -0.9846000    
 C    1.964500     -0.3974000     -0.3438000    
 C  -0.7716000     -0.6907000      0.1154000    
 C    1.153300     -0.9845000      -1.314900    
 C    1.407600      4.3299999E-02  0.8567000    
 C  -0.2147000      -1.131100      -1.085200    
 C   3.9600000E-02 -0.1034000       1.086300    
 C   -2.198200     -0.8422000      0.3553000    
 C    4.296900      0.3116000      0.2737000    
 C    5.670900      0.2855000     -0.3476000    
 C   -3.168900      6.0500000E-02  6.9300003E-02
 C   -4.525600     -0.2569000      0.3806000    
 C   -2.862500       1.327500     -0.5126000    
 H    1.573700      -1.331900      -2.255300    
 H    1.970400      0.5077000       1.654300    
 H  -0.8338000      -1.590900      -1.851900    
 H  -0.3806000      0.2447000       2.027200    
 H    3.661000     -0.5934000      -1.474100    
 H   -2.469200      -1.796100      0.8066000    
 H    5.974600     -0.7493000     -0.5287000    
 H    6.391900      0.7549000      0.3272000    
 H    5.661300      0.8347000      -1.293300    


%chk=000033296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033296

0 1
O 4.035005 1.458905 0.797422
N 3.435440 -0.399834 -0.510234
N -5.794932 -0.663256 0.082130
N -2.894181 2.177279 1.893024
C 2.026758 -0.406580 -0.393153
C -0.830681 -0.538605 -0.243569
C 1.313668 -1.432842 -1.078529
C 1.301193 0.555216 0.369699
C -0.081892 -1.493367 -1.002296
C -0.097747 0.483270 0.437847
C -2.276428 -0.694803 -0.234648
C 4.366758 0.489012 0.063021
C 5.815904 0.161152 -0.287044
C -3.273937 0.049555 0.386744
C -4.651484 -0.338139 0.222130
C -3.050604 1.209145 1.206160
H 1.859871 -2.179526 -1.668389
H 1.847807 1.340179 0.894191
H -0.614216 -2.289691 -1.535976
H -0.622089 1.235839 1.031547
H 3.832065 -1.145585 -1.088692
H -2.648527 -1.547744 -0.819720
H 6.109643 -0.826347 0.114961
H 6.465903 0.928185 0.156777
H 5.975901 0.148883 -1.381103


