%chk=000006181.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006181

0 1
 I    2.150000       3.241400     -0.3235000    
 I    3.417700      -2.648800      0.6481000    
 O   -2.191700       1.134100       1.456700    
 O    3.787000      0.5584000      0.4428000    
 O   -3.911400       1.119300     -3.1199999E-02
 N   -3.630100      -1.634500     -0.1605000    
 C   -1.488200     -0.8195000      -1.028200    
 C   -2.451400     -0.8299000      0.1666000    
 C  -7.5700000E-02 -0.4506000     -0.6344000    
 C   0.8077000      -1.451400     -0.2662000    
 C   0.3055000      0.8805000     -0.6504000    
 C   -2.949800      0.5662000      0.4834000    
 C    1.608600       1.220900     -0.2872000    
 C    2.110600      -1.111000      9.7199999E-02
 C    2.511000      0.2251000      8.6800002E-02
 H   -1.840800     -0.1354000      -1.812300    
 H   -1.458500      -1.811800      -1.500200    
 H   -1.989800      -1.267800       1.059000    
 H   0.4809000      -2.488300     -0.2600000    
 H  -0.4066000       1.646300     -0.9470000    
 H   -4.105700      -1.246100     -0.9742000    
 H   -4.296400      -1.605800      0.6101000    
 H   -2.503700       2.035900       1.683600    
 H    3.883500       1.524100      0.3766000    


%chk=000006181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006181

0 1
I 2.224714 3.319027 -0.676464
I 3.537335 -2.496291 0.872961
O -2.902881 0.654991 1.988972
O 3.868996 0.637159 0.391056
O -2.804999 1.605235 -0.130824
N -3.783875 -1.457161 -0.248384
C -1.505250 -0.907846 -1.061439
C -2.490383 -0.856738 0.134570
C -0.090970 -0.477358 -0.701237
C 0.844475 -1.424296 -0.211200
C 0.315263 0.874691 -0.827386
C -2.709189 0.593200 0.602663
C 1.621704 1.252734 -0.468233
C 2.149136 -1.036298 0.146434
C 2.569880 0.315117 0.026041
H -1.905119 -0.264753 -1.868111
H -1.515929 -1.950672 -1.424174
H -2.081122 -1.433316 0.980958
H 0.551254 -2.474848 -0.116760
H -0.395116 1.618757 -1.198561
H -4.254790 -0.981608 -1.025341
H -4.411764 -1.660735 0.534628
H -3.108145 1.592445 2.257420
H 4.039475 1.609866 0.258012


