%chk=000003361.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003361

0 1
 S   -2.682100     -5.1100001E-02 -0.5642000    
 S    3.824500      -3.937500      0.4217000    
 F    1.834500      -3.845600      -1.265100    
 O    1.565700      0.9907000      -1.957400    
 O    4.737500       1.785500     -0.2679000    
 O    3.007300      0.7572000       2.230900    
 O   0.1892000       2.461100       2.592500    
 O  -0.9434000      0.4943000       2.311100    
 O    4.991700      -1.130500       1.089300    
 O   -6.539600      -2.157800       1.532600    
 N    1.670400       1.383500      0.4003000    
 N    3.769100     -0.4077000     -0.7463000    
 N   -5.403900     -0.5458000     -0.5904000    
 N   -4.929900       1.569700     -0.6445000    
 N   -6.588600      8.0200002E-02 -0.6251000    
 N   -6.292500       1.373700     -0.6576000    
 C    2.288700       1.618000     -0.8874000    
 C    3.552800      0.9663000     -0.2807000    
 C    2.777500       1.025300       1.075200    
 C   0.3257000       1.437900      0.5364000    
 C  -0.4482000       1.475900     -0.5736000    
 C   0.1729000       1.357800      -1.973100    
 C   -1.947900       1.594200     -0.5998000    
 C  -0.2248000       1.383400       1.894800    
 C    4.480300      -1.347900     -8.1000002E-03
 C    5.246700       2.143800      -1.544200    
 C    4.559700      -2.700600     -0.6739000    
 C   -4.399800      0.3690000     -0.6023000    
 C   -5.341600      -1.984900     -0.5493000    
 C    2.083300      -3.629900      5.2700002E-02
 C   -5.335600      -2.528100      0.8733000    
 H    2.403700       2.692500      -1.085700    
 H    3.389900     -0.6928000      -1.646000    
 H   7.8800000E-02   2.312200      -2.502900    
 H  -0.3438000      0.5885000      -2.555300    
 H   -2.300000       2.167900      0.2649000    
 H   -2.271400       2.139700      -1.493500    
 H    5.467300       1.251500      -2.137100    
 H    4.539300       2.783300      -2.078400    
 H    6.175600       2.701700      -1.398300    
 H    5.618500      -2.937800     -0.8190000    
 H    4.080400      -2.717500      -1.656500    
 H  -0.1586000       2.462400       3.509800    
 H   -4.454300      -2.315600      -1.097200    
 H   -6.219500      -2.357200      -1.091300    
 H    1.459800      -4.317100      0.6303000    
 H    1.800000      -2.603700      0.3015000    
 H   -5.270900      -3.620500      0.8587000    
 H   -4.491800      -2.131200       1.446900    
 H   -6.498200      -2.528000       2.430800    


%chk=000003361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003361

0 1
S -3.044366 0.182467 0.933765
S 3.183798 -3.918293 -0.957417
F 1.105291 -2.237891 -0.242305
O 1.102900 1.130146 -1.527892
O 4.544244 1.680594 -0.268569
O 3.036149 -0.082117 2.071076
O 1.073775 1.862224 3.421787
O -1.192310 1.409602 3.149961
O 5.416268 -1.226183 -0.615417
O -7.067213 -1.606588 -0.039356
N 1.630670 1.468975 0.806171
N 3.358290 -0.258785 -1.216339
N -4.269372 -1.468591 -0.982529
N -3.241172 0.288345 -1.890159
N -4.446939 -1.568117 -2.385198
N -3.821921 -0.504400 -2.909143
C 2.024047 1.751758 -0.592185
C 3.351465 0.911175 -0.347170
C 2.753694 0.636551 1.106393
C 0.278197 1.550828 1.203110
C -0.678356 1.628379 0.207995
C -0.295784 1.535256 -1.265191
C -2.141339 1.831930 0.471305
C -0.049933 1.587496 2.652598
C 4.307139 -1.284924 -1.212696
C 5.232728 1.927873 -1.551850
C 3.871469 -2.500756 -2.034543
C -3.538692 -0.335454 -0.715734
C -4.832198 -2.485430 -0.082918
C 2.244952 -2.974194 0.328553
C -5.940875 -1.946396 0.829910
H 2.168029 2.825762 -0.806709
H 2.458494 -0.414639 -1.692150
H -0.496249 2.509848 -1.761464
H -0.928077 0.785182 -1.771068
H -2.344132 2.453316 1.353697
H -2.672221 2.206010 -0.417807
H 5.724798 1.004869 -1.902291
H 4.537237 2.312284 -2.324297
H 5.991270 2.688929 -1.316444
H 4.754580 -2.943302 -2.519472
H 3.107348 -2.255875 -2.788931
H 0.842922 1.816074 4.388358
H -4.018844 -2.915267 0.530465
H -5.245201 -3.273597 -0.732292
H 1.845958 -3.728130 1.025553
H 2.874397 -2.233401 0.844212
H -6.205577 -2.752001 1.547443
H -5.581953 -1.067425 1.405255
H -7.762985 -1.125715 0.473530


