%chk=000005731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005731

0 1
 O   -5.129700       1.189300     -3.8300000E-02
 O   -4.143500       2.695600      -1.457000    
 N   -2.942000      0.9624000     -0.4738000    
 N    2.343600      -2.946600     -0.7812000    
 N    4.065000       2.561400      0.2197000    
 C   -3.272000     -0.1972000      0.2932000    
 C   -2.244500     -0.5240000       1.358700    
 C   -1.052900      -1.228600      0.7998000    
 C    1.161600      -1.152700     -0.1794000    
 C    2.410100     -0.7289000     -0.7149000    
 C   -4.630100      0.1754000      0.8511000    
 C    1.145500      -2.548100     -0.2323000    
 C   4.0300000E-02 -0.4810000      0.3471000    
 C    2.876900      0.6646000     -0.8602000    
 C   -1.041200      -2.620500      0.7345000    
 C    3.639900       1.174600      0.3762000    
 C    3.114400      -1.854300      -1.075900    
 C   5.9900001E-02  -3.308400      0.2167000    
 C   -4.066500       1.716800     -0.7281000    
 C    4.746300       3.030100       1.427400    
 C    2.918900       3.420100     -8.2999997E-02
 H   -3.388600      -1.022200     -0.4212000    
 H   -2.699500      -1.165700       2.125300    
 H   -1.926900      0.3833000       1.890100    
 H   -5.318100     -0.6752000      0.8629000    
 H   -4.581000      0.6059000       1.857300    
 H   3.0400001E-02  0.6041000      0.4030000    
 H    3.522300      0.7465000      -1.745000    
 H    1.992800       1.276400      -1.069900    
 H   -2.048900       1.119500     -0.9301000    
 H   -1.895800      -3.194300       1.086100    
 H    4.521200      0.5382000      0.5308000    
 H    3.007500       1.057700       1.267400    
 H    4.094700      -1.977600      -1.515000    
 H   6.7900002E-02  -4.392000      0.1657000    
 H    2.614200      -3.906900     -0.9423000    
 H    5.618200       2.403100       1.645200    
 H    4.087900       3.022600       2.303700    
 H    5.122600       4.049500       1.286700    
 H    3.209900       4.476600     -3.0200001E-02
 H    2.086200       3.271900      0.6143000    
 H    2.566100       3.280300      -1.109400    


%chk=000005731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005731

0 1
O -5.043819 1.356028 -0.031410
O -4.024903 2.256535 -1.953819
N -3.035537 0.507887 -0.679160
N 2.311927 -2.981158 -0.998523
N 4.027788 2.614244 0.345980
C -3.387931 -0.367352 0.448364
C -2.232432 -0.545730 1.468245
C -1.023407 -1.242510 0.858011
C 1.169979 -1.157510 -0.233318
C 2.418631 -0.697517 -0.821846
C -4.612929 0.405573 1.028969
C 1.130886 -2.592275 -0.359446
C 0.075701 -0.493874 0.383612
C 2.911326 0.726321 -0.910799
C -1.023779 -2.668255 0.720586
C 3.409162 1.272454 0.454572
C 3.080597 -1.838666 -1.276289
C 0.044279 -3.358172 0.116466
C -3.999347 1.450305 -1.007821
C 4.796797 2.964356 1.558351
C 3.065759 3.676891 -0.011657
H -3.692341 -1.368083 0.077640
H -2.625981 -1.128982 2.324256
H -1.955522 0.455612 1.848509
H -5.467994 -0.247702 1.259849
H -4.331591 0.995245 1.921228
H 0.084500 0.596822 0.500274
H 3.749930 0.804051 -1.627010
H 2.099449 1.373065 -1.297007
H -2.220338 0.352050 -1.269161
H -1.877236 -3.238942 1.107846
H 4.176529 0.577164 0.843748
H 2.562043 1.262529 1.190607
H 4.041169 -1.918814 -1.782453
H 0.026331 -4.450018 0.026651
H 2.567907 -3.936039 -1.238336
H 5.561626 2.190822 1.750675
H 4.163022 3.060121 2.477409
H 5.316422 3.927177 1.403628
H 3.597986 4.641398 -0.092023
H 2.244255 3.797290 0.741876
H 2.604185 3.469360 -0.991573


