%chk=000096673.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096673

0 1
 O    4.081200     -0.1431000      0.9283000    
 O   -1.788100       2.128900      0.2270000    
 O   -4.095400      0.7573000      0.8952000    
 N    1.644800      8.9599997E-02 -0.5247000    
 C    1.655500     -9.7199999E-02  0.9329000    
 C    2.864100      0.7900000     -0.9514000    
 C   0.4518000      0.8213000     -0.9453000    
 C    2.914900     -0.8514000       1.349400    
 C    4.094700      1.4000000E-02 -0.4910000    
 C  -0.8107000      9.8800004E-02 -0.5737000    
 C   -1.875700      0.7878000     -3.5000001E-03
 C  -0.8975000      -1.269100     -0.8095000    
 C   -3.041400      0.1006000      0.3353000    
 C   -2.063000      -1.956100     -0.4708000    
 C   -3.135100      -1.271400      0.1017000    
 H    1.635700      0.8775000       1.438700    
 H   0.7990000     -0.6765000       1.291100    
 H    2.888700      0.8800000      -2.043300    
 H    2.892000       1.801600     -0.5256000    
 H   0.4507000      0.9338000      -2.037700    
 H   0.4718000       1.835200     -0.5266000    
 H    2.955000     -0.9367000       2.440100    
 H    2.933700      -1.867300      0.9363000    
 H    4.153300     -0.9720000     -0.9680000    
 H    5.003100      0.5644000     -0.7561000    
 H  -8.2000002E-02  -1.821500      -1.268200    
 H   -2.137500      -3.023800     -0.6557000    
 H   -4.040500      -1.812500      0.3625000    
 H   -2.404100       2.379400      0.9345000    
 H   -4.046000       1.701400      0.6746000    


%chk=000096673-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096673

0 1
O 4.343137 -0.397543 0.746701
O -1.961136 2.285737 0.156933
O -4.285503 0.998213 0.484472
N 1.714930 0.198958 -0.341958
C 1.906092 -0.075530 1.106723
C 2.940997 0.810424 -0.913508
C 0.501600 1.008970 -0.608466
C 3.119737 -0.994879 1.310654
C 4.141745 -0.122743 -0.686047
C -0.788017 0.222220 -0.409981
C -1.974757 0.896480 -0.046857
C -0.850544 -1.179845 -0.617181
C -3.189038 0.179368 0.112102
C -2.059655 -1.890257 -0.461848
C -3.246539 -1.209816 -0.093626
H 2.063095 0.873546 1.678814
H 0.997605 -0.565202 1.502666
H 2.795329 0.963511 -2.000219
H 3.160989 1.805942 -0.450966
H 0.553821 1.348219 -1.663072
H 0.464236 1.934416 0.013623
H 3.332439 -1.143160 2.382266
H 2.927687 -1.977936 0.828146
H 3.974359 -1.077786 -1.229950
H 5.079821 0.342775 -1.031406
H 0.077099 -1.690472 -0.894862
H -2.086629 -2.972307 -0.626336
H -4.190997 -1.754802 0.029280
H -2.875256 2.571937 0.422317
H -5.113644 0.474560 0.598084


