%chk=000017813.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017813

0 1
 O  -0.8442000      -1.799500     -0.8446000    
 N    4.225700     -0.5128000      0.8912000    
 N    1.635000       1.634200      -2.043800    
 C  -0.6052000      0.1484000      0.5428000    
 C   -1.372000     -0.6753000     -0.2815000    
 C   -1.170700       1.292700       1.105500    
 C   -2.704100     -0.3545000     -0.5430000    
 C   -2.502800       1.613400      0.8438000    
 C   -3.269500      0.7898000      1.9600000E-02
 C   0.7880000     -0.1645000      0.8314000    
 C    1.869100      0.2212000      0.1117000    
 C  -0.9555000      -3.009600     -9.8999999E-02
 C    3.168500     -0.1846000      0.5425000    
 C    1.737700       1.001000      -1.076600    
 H  -0.5875000       1.945600       1.750700    
 H   -3.307600     -0.9907000      -1.184900    
 H   -2.943100       2.504300       1.281800    
 H   -4.306600       1.039700     -0.1843000    
 H   0.9271000     -0.7649000       1.729800    
 H   -2.007700      -3.281900      3.1199999E-02
 H  -0.4701000      -2.915200      0.8772000    
 H  -0.4568000      -3.804300     -0.6606000    


%chk=000017813-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017813

0 1
O -0.514121 -1.639430 -0.358454
N 4.416079 0.553694 1.025564
N 2.067013 -1.700117 -1.841249
C -0.538483 0.472015 0.744789
C -1.274782 -0.580856 0.099897
C -1.291443 1.534342 1.334143
C -2.685963 -0.522551 0.001232
C -2.692362 1.595059 1.242078
C -3.387037 0.564631 0.563629
C 0.910467 0.545199 0.873109
C 1.976110 -0.076868 0.229713
C -1.138928 -2.705409 -1.152363
C 3.311095 0.270556 0.662834
C 1.954391 -0.983274 -0.889030
H -0.746303 2.332653 1.852036
H -3.237933 -1.324832 -0.496366
H -3.239232 2.429713 1.690233
H -4.478910 0.599588 0.482887
H 1.235245 1.279372 1.625059
H -1.668401 -2.286301 -2.027897
H -1.832625 -3.300724 -0.529961
H -0.296175 -3.323958 -1.490984


