%chk=000077116.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077116

0 1
 O    3.793500     -0.2217000      0.9943000    
 O    1.326000       1.562000     -0.6348000    
 N    1.794900     -0.6511000     -0.1261000    
 N   -2.334300      -1.393300     -0.1370000    
 C  -0.4943000      0.1747000     -0.1239000    
 C   0.9220000      0.4267000     -0.3229000    
 C   -1.358300       1.196600      0.2534000    
 C   -1.027300      -1.091400     -0.3045000    
 C    3.231400     -0.5531000     -0.2639000    
 C   -2.709800      0.9251000      0.4357000    
 C   -3.143700     -0.3745000      0.2297000    
 H  -0.9967000       2.208800      0.4134000    
 H    1.435200      -1.541600      0.2003000    
 H  -0.4310000      -1.939300     -0.6249000    
 H    3.611200      -1.525500     -0.5882000    
 H    3.490500      0.2197000     -0.9928000    
 H   -3.401600       1.705800      0.7305000    
 H   -4.188100     -0.6382000      0.3591000    
 H    4.757300     -0.1783000      0.8734000    


%chk=000077116-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077116

0 1
O 3.913187 -0.006238 0.779374
O 1.569043 1.425784 -0.219841
N 1.855167 -0.869201 -0.216199
N -2.438620 -1.337624 -0.257860
C -0.430784 0.057934 -0.041622
C 1.051098 0.258829 -0.165987
C -1.224074 1.148929 0.395887
C -1.091345 -1.154879 -0.372069
C 3.312646 -0.685797 -0.355603
C -2.617457 0.978694 0.515361
C -3.178502 -0.279871 0.190678
H -0.730355 2.098790 0.624651
H 1.487939 -1.777800 0.070844
H -0.540687 -2.013538 -0.776661
H 3.784677 -1.677938 -0.404176
H 3.494147 -0.123692 -1.291717
H -3.261099 1.796502 0.852928
H -4.255807 -0.457802 0.282291
H 3.577729 0.930320 0.760521


