%chk=000004455.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004455

0 1
 O   -2.607000     -0.5376000      -2.050300    
 O   -3.530500       1.199300       1.045000    
 O   -3.996000      -1.390000       1.917900    
 O    1.424000      -2.483700     -0.5680000    
 N  -0.2860000     -0.4335000     -0.6369000    
 N   0.6887000       2.108900      4.8300002E-02
 N    2.846700       1.120500      0.4160000    
 N    3.217400      -1.211700      0.1029000    
 N    4.932100      0.2359000      0.7836000    
 C   -2.501000      0.4727000      -1.032400    
 C   -3.472300      0.1106000      0.1209000    
 C   -1.075400      0.6563000     -0.6443000    
 C   -3.064600      -1.157800      0.8656000    
 C   0.9961000     -0.2175000     -0.2794000    
 C  -0.5972000       1.903800     -0.3082000    
 C    1.497400       1.027900      6.2399998E-02
 C    1.894500      -1.393200     -0.2592000    
 C    3.633100     -1.0600000E-02  0.4160000    
 H   -2.848100       1.403100      -1.500300    
 H   -4.486900     -2.9300001E-02 -0.2718000    
 H   -2.082000      -1.061800       1.336600    
 H   -3.061200      -2.031200      0.2074000    
 H   -1.224300       2.787800     -0.3094000    
 H   -3.538600     -0.5768000      -2.326400    
 H    3.211700       2.031000      0.6656000    
 H   -3.826000       1.984500      0.5534000    
 H   -3.991300     -0.6038000       2.490400    
 H    5.616500     -0.5114000      0.8249000    
 H    5.245500       1.169600       1.025300    


%chk=000004455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004455

0 1
O -2.672431 0.060684 -2.175076
O -3.333359 0.776421 1.494904
O -4.223209 -1.995989 1.283398
O 1.141079 -2.387312 0.977017
N -0.423185 -0.232029 -0.122100
N 0.949350 2.214672 -0.630324
N 2.963852 1.185135 0.032929
N 3.091912 -1.105858 0.785865
N 5.022449 0.194206 0.644422
C -2.567396 0.756986 -0.874577
C -3.428409 0.050788 0.208339
C -1.084487 0.867140 -0.583315
C -3.099019 -1.411505 0.535859
C 0.913429 -0.130571 0.099806
C -0.390399 2.084227 -0.827280
C 1.587876 1.101056 -0.173691
C 1.693779 -1.305250 0.652083
C 3.660980 0.057392 0.492382
H -2.967870 1.792660 -0.983192
H -4.485744 0.068788 -0.148932
H -2.151026 -1.479353 1.094905
H -3.001801 -2.004959 -0.385773
H -0.917064 2.970539 -1.195428
H -3.625876 -0.155353 -2.348584
H 3.410839 2.084356 -0.168023
H -3.845077 1.623002 1.445832
H -4.259122 -1.534198 2.159849
H 5.519770 -0.626192 0.984871
H 5.535458 1.042517 0.419434


