%chk=000000833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000833

0 1
 O   -1.726200       1.912700     -0.6631000    
 O   -2.927500       1.152500       1.102600    
 O    3.030200      0.5685000       1.300300    
 N    2.179200     -0.6696000     -0.4765000    
 N   -3.039600      -1.377800      0.1260000    
 N    3.622200       1.085900     -0.8566000    
 C  -0.8013000     -0.8686000     -0.8136000    
 C  -4.5000002E-02  -1.081000      0.5075000    
 C   -2.259100     -0.4131000     -0.6477000    
 C    1.378000      -1.587800      0.2857000    
 C   -2.357500      0.9362000      4.1099999E-02
 C    2.946600      0.3421000      9.4400004E-02
 H  -0.2671000     -0.1300000      -1.424000    
 H  -0.7872000      -1.806400      -1.384500    
 H  -0.5747000      -1.809800       1.131300    
 H  -1.1200000E-02 -0.1392000       1.068000    
 H   -2.724700     -0.3123000      -1.635300    
 H    1.859800      -1.761000       1.254200    
 H    1.364900      -2.538700     -0.2574000    
 H    2.182400     -0.7614000      -1.487800    
 H   -2.996100      -2.291400     -0.3240000    
 H   -4.022000      -1.105500      0.1220000    
 H   -1.788700       2.783700     -0.2162000    
 H    3.539900      0.8845000      -1.847400    
 H    4.222200       1.859100     -0.5898000    


%chk=000000833-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000833

0 1
O -1.880183 1.865590 -0.991801
O -2.803875 1.191812 1.030694
O 2.974063 0.445619 1.402206
N 2.229610 -0.637358 -0.535420
N -3.086312 -1.507726 0.036577
N 3.700612 1.200674 -0.682892
C -0.833245 -0.950158 -0.901300
C -0.063324 -1.128454 0.423890
C -2.320012 -0.516378 -0.725521
C 1.397190 -1.595794 0.208690
C -2.381238 0.896907 -0.107905
C 2.964101 0.339973 0.137016
H -0.325681 -0.196658 -1.533162
H -0.852269 -1.910810 -1.451031
H -0.568645 -1.889883 1.050825
H -0.042612 -0.184736 1.002090
H -2.755596 -0.438585 -1.739345
H 1.878058 -1.742172 1.191130
H 1.409998 -2.562865 -0.330993
H 2.198727 -0.647824 -1.554531
H -4.100227 -1.429524 -0.092853
H -2.850680 -1.513508 1.035327
H -1.907218 2.759962 -0.554136
H 3.765069 1.108562 -1.694124
H 4.251188 1.914934 -0.214231


