%chk=000116940.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116940

0 1
 O  -0.2875000       1.749600      0.7495000    
 O    1.283200      -3.716700     -7.1199998E-02
 O    4.032900       2.106800     -0.2249000    
 N    1.032800     -2.9999999E-02  6.4700000E-02
 C   -1.433200     -0.1355000     -0.1895000    
 C   -2.721400      0.6526000      5.4200001E-02
 C  -0.1895000      0.6238000      0.2540000    
 C    1.198400      -1.360300     -0.5165000    
 C    2.269900      0.6309000      0.4622000    
 C   -3.952200     -0.1498000     -0.3663000    
 C    1.153100      -2.442800      0.5464000    
 C    2.850300       1.456400     -0.6716000    
 C   -5.236800      0.6152000     -9.1100000E-02
 H   -1.350500     -0.3437000      -1.261700    
 H   -1.480900      -1.084700      0.3525000    
 H   -2.688000       1.598600     -0.5006000    
 H   -2.798300      0.9118000       1.117600    
 H    2.144500      -1.401900      -1.069700    
 H   0.4206000      -1.549800      -1.262000    
 H    2.992200     -0.1138000      0.8170000    
 H    2.073200       1.287100       1.318900    
 H   -3.979800      -1.102100      0.1760000    
 H   -3.894800     -0.3866000      -1.435100    
 H   0.2098000      -2.430000       1.099200    
 H    1.962700      -2.326300       1.274300    
 H    2.144200       2.225000      -1.001800    
 H    3.099200      0.8369000      -1.539200    
 H   -5.255900       1.560600     -0.6425000    
 H   -5.340500      0.8372000      0.9759000    
 H   -6.104000      2.3700001E-02 -0.4007000    
 H    2.138400      -3.732200     -0.5337000    
 H    4.663600       1.416400      4.2100001E-02


%chk=000116940-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116940

0 1
O -0.210938 1.776767 0.634904
O 1.317691 -3.869455 0.068777
O 4.059012 2.240992 -0.242357
N 1.051966 -0.073539 0.040057
C -1.437847 -0.145195 -0.289341
C -2.726249 0.613789 0.086918
C -0.171612 0.595393 0.168559
C 1.197172 -1.442330 -0.489951
C 2.278256 0.641704 0.464166
C -3.996694 -0.088977 -0.440801
C 1.213150 -2.515987 0.627809
C 2.830410 1.552830 -0.658640
C -5.289221 0.666601 -0.063225
H -1.397584 -0.275049 -1.391885
H -1.464435 -1.167307 0.138364
H -2.668549 1.644582 -0.308743
H -2.782196 0.716971 1.187631
H 2.141813 -1.500793 -1.068046
H 0.382134 -1.677313 -1.193475
H 3.040582 -0.106506 0.759434
H 2.042528 1.269960 1.339203
H -4.043759 -1.123589 -0.042164
H -3.933888 -0.183739 -1.544865
H 0.256493 -2.511899 1.174965
H 2.028511 -2.308542 1.352861
H 2.108098 2.357874 -0.861201
H 2.990283 0.966977 -1.590387
H -5.280269 1.693604 -0.474090
H -5.393464 0.747767 1.035123
H -6.187824 0.153283 -0.451956
H 2.218372 -3.999217 -0.322008
H 4.783757 1.576745 -0.119237


