%chk=000050386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050386

0 1
 O   -1.092900       1.870600      0.5644000    
 O   -5.191500      0.5257000     -0.2049000    
 O   -3.474900      6.8700001E-02  -1.629400    
 N  -6.9899999E-02  -1.960500      0.2128000    
 N   -1.368700      -1.652100      0.4245000    
 C   0.6836000      0.3501000      0.2188000    
 C   0.9535000      -1.013000      0.1075000    
 C    3.001500      0.9007000     -0.1003000    
 C    3.296300     -0.4578000     -0.2146000    
 C    1.689000       1.312700      0.1178000    
 C    2.277700      -1.409300     -0.1116000    
 C  -0.7132000      0.7186000      0.4487000    
 C   -1.709200     -0.4075000      0.5404000    
 C   -3.144600     -3.5900000E-02  0.7749000    
 C    4.077100       1.931300     -0.2087000    
 C    4.697200     -0.9218000     -0.4470000    
 C   -3.911300      0.1795000     -0.4933000    
 H    1.451000       2.369000      0.2083000    
 H    2.510400      -2.468600     -0.2010000    
 H   0.1758000      -2.939800      0.1239000    
 H   -3.200600      0.8663000       1.391700    
 H   -3.621700     -0.8561000       1.324100    
 H    3.679800       2.946200     -9.6199997E-02
 H    4.827300       1.790100      0.5761000    
 H    4.561600       1.881700      -1.189300    
 H    4.757900      -2.013800     -0.5137000    
 H    5.085600     -0.5195000      -1.388200    
 H    5.347600     -0.6126000      0.3777000    
 H   -5.721800      0.6751000      -1.016600    


%chk=000050386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050386

0 1
O -1.236738 1.842376 0.512883
O -5.064226 0.954608 -0.162395
O -3.428194 0.262403 -1.658391
N -0.022933 -2.060163 0.328640
N -1.354579 -1.799517 0.519226
C 0.604796 0.277659 0.221844
C 0.977173 -1.097610 0.169306
C 2.962271 0.912514 -0.144353
C 3.325046 -0.483991 -0.195153
C 1.617087 1.259304 0.061820
C 2.333417 -1.467451 -0.038342
C -0.809510 0.638793 0.436326
C -1.730273 -0.515352 0.569046
C -3.197122 -0.236500 0.768314
C 4.018804 1.987862 -0.313239
C 4.768216 -0.891223 -0.419110
C -3.846580 0.337648 -0.485638
H 1.305701 2.308719 0.103774
H 2.608935 -2.528661 -0.078740
H 0.200325 -3.054804 0.296448
H -3.350184 0.489797 1.585053
H -3.724314 -1.171339 1.030688
H 3.573184 2.993752 -0.245669
H 4.805842 1.913425 0.461776
H 4.528696 1.909016 -1.292731
H 4.884364 -1.987798 -0.425508
H 5.150520 -0.503568 -1.382696
H 5.428921 -0.483320 0.369363
H -5.476045 1.311420 -0.995743


