%chk=000029703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029703

0 1
 O  -7.4699998E-02   1.094900     -0.4368000    
 O   -1.231800       2.115300       1.271800    
 N    3.253500      0.1746000      0.1536000    
 N    4.430000      -1.163300       1.636300    
 N    3.909200      -2.071800     -0.3883000    
 C    2.061900       1.708700      -1.328600    
 C   0.9835000       2.034500     -0.3025000    
 C    2.628200      0.3055000      -1.163200    
 C   -2.157100      0.2108000      0.1756000    
 C   -1.124800       1.250700      0.4160000    
 C   -3.478900      0.5111000      0.4334000    
 C   -1.762500      -1.023500     -0.2987000    
 C   -4.448700     -0.4656000      0.2074000    
 C   -2.732400      -2.000200     -0.5249000    
 C   -4.075500      -1.721100     -0.2717000    
 C    3.820200     -0.9607000      0.4205000    
 H    1.636200       1.789200      -2.336100    
 H    2.867000       2.448500      -1.249100    
 H    1.388700       1.998200      0.7151000    
 H   0.5994000       3.043800     -0.4915000    
 H    1.832000     -0.4379000      -1.288400    
 H    3.372800      0.1438000      -1.952300    
 H   -3.782200       1.486100      0.8032000    
 H  -0.7226000      -1.270500     -0.4905000    
 H   -5.494600     -0.2482000      0.4037000    
 H   -2.441900      -2.979000     -0.8950000    
 H   -4.830600      -2.481800     -0.4472000    
 H    4.447900     -0.4343000       2.341000    
 H    4.879700      -2.043300       1.864000    
 H    4.380700      -2.912200     -7.1400002E-02
 H    3.511000      -2.096200      -1.320200    


%chk=000029703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029703

0 1
O -0.121901 0.969506 -0.556420
O -1.217335 2.025629 1.209439
N 3.377513 0.130645 0.256437
N 4.908414 -0.762123 1.800765
N 4.315634 -2.089967 -0.044328
C 2.112469 1.473128 -1.366659
C 1.052984 1.874730 -0.344094
C 2.721402 0.086285 -1.065717
C -2.315551 0.195814 0.022866
C -1.200901 1.150873 0.306088
C -3.475462 0.264696 0.837240
C -2.242696 -0.760445 -1.023088
C -4.553085 -0.615483 0.608329
C -3.323625 -1.638878 -1.249382
C -4.479401 -1.569026 -0.435412
C 4.141496 -0.869335 0.628952
H 1.676776 1.489344 -2.384131
H 2.921861 2.226766 -1.328656
H 1.428183 1.731513 0.683554
H 0.708329 2.916834 -0.468827
H 1.898663 -0.664803 -1.089868
H 3.433007 -0.178297 -1.884017
H -3.507529 1.011799 1.637276
H -1.344127 -0.801138 -1.644975
H -5.447303 -0.560161 1.238664
H -3.267892 -2.376238 -2.057842
H -5.317437 -2.252468 -0.613537
H 4.831561 0.136569 2.275078
H 5.048044 -1.588394 2.381195
H 5.154599 -2.646990 0.099813
H 3.726911 -2.304286 -0.843543


