%chk=000031713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031713

0 1
 O    3.987800     -0.1714000      0.6339000    
 N   -2.301100      -1.053200     -0.6159000    
 N   -2.233100       1.088700      0.3773000    
 C   -1.535400      0.2102000     -0.5892000    
 C   -3.160600      -1.030700      0.5627000    
 C   -3.520500      0.4425000      0.6388000    
 C  -5.2499998E-02  0.1072000     -0.2605000    
 C   -1.583900      -2.298900     -0.7992000    
 C   -2.380800       2.462600     -8.1200004E-02
 C   0.8954000      0.5192000      -1.194700    
 C   0.3520000     -0.3978000      0.9733000    
 C    2.254200      0.4257000     -0.8937000    
 C    1.710800     -0.4913000       1.274300    
 C    2.661900     -7.9599999E-02  0.3408000    
 C    4.905900      0.2668000     -0.3666000    
 H   -1.639600      0.6228000      -1.602100    
 H   -2.635000      -1.354200       1.469300    
 H   -4.050800      -1.653000      0.4281000    
 H   -4.268300      0.6915000     -0.1259000    
 H   -3.914800      0.7137000       1.622900    
 H  -0.9743000      -2.584300      6.3199997E-02
 H  -0.9444000      -2.255700      -1.687400    
 H   -2.297200      -3.112800     -0.9727000    
 H   -1.399600       2.920800     -0.2452000    
 H   -2.890000       3.064600      0.6792000    
 H   -2.952800       2.532400      -1.013400    
 H   0.5919000      0.9149000      -2.160200    
 H  -0.3686000     -0.7163000       1.720300    
 H    2.938900      0.7632000      -1.664300    
 H    2.022500     -0.8841000       2.238200    
 H    5.914400      0.1225000      3.4699999E-02
 H    4.794500       1.336500     -0.5741000    
 H    4.832900     -0.3420000      -1.274200    


%chk=000031713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031713

0 1
O 4.023648 -0.032577 0.691586
N -2.294563 -1.079659 -0.652249
N -2.360520 1.012228 0.397299
C -1.594426 0.250812 -0.627141
C -3.242146 -1.144285 0.481149
C -3.655278 0.329670 0.615528
C -0.098654 0.216096 -0.295740
C -1.513828 -2.288443 -0.932950
C -2.400617 2.464805 0.202170
C 0.865645 0.350068 -1.318433
C 0.353348 0.007879 1.035071
C 2.252439 0.277186 -1.044405
C 1.724673 -0.071674 1.329543
C 2.680301 0.059973 0.287908
C 5.050053 0.106010 -0.342958
H -1.699828 0.708992 -1.644788
H -2.773294 -1.504945 1.429522
H -4.094491 -1.806711 0.240126
H -4.418677 0.587496 -0.158388
H -4.062306 0.577048 1.612748
H -0.829145 -2.591974 -0.104848
H -0.898805 -2.142048 -1.838099
H -2.207608 -3.127109 -1.129524
H -1.371059 2.859213 0.135078
H -2.889829 2.943524 1.069464
H -2.952088 2.772832 -0.721681
H 0.533027 0.521645 -2.350886
H -0.392855 -0.056123 1.834086
H 2.972957 0.394343 -1.859646
H 2.085108 -0.226843 2.351456
H 6.008355 -0.000834 0.186550
H 5.001653 1.100165 -0.829233
H 4.958609 -0.686262 -1.111818


