%chk=000005036.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005036

0 1
 S    3.175800       1.642200      -1.083300    
 F    6.515800      -2.658300       1.122000    
 O    3.440700       2.849000     -0.3234000    
 O    3.365300       1.629000      -2.521200    
 O   -4.880100      -4.453600      0.7788000    
 O   -4.412100      -4.005200      -1.395900    
 N   -2.734900     -0.2122000     -0.2510000    
 N    1.611900       1.086300     -0.7375000    
 C    1.210500      0.8451000      0.6765000    
 C   4.0300000E-02   1.782800       1.045600    
 C   -1.433500     -4.0399998E-02  0.1239000    
 C   -1.267500       1.260600      0.5495000    
 C   0.8543000     -0.6467000      0.8556000    
 C  -0.3814000      -1.085800      4.4599999E-02
 C   -2.529800       1.909200      0.4349000    
 C   -3.430000      0.9645000     -6.9899999E-02
 C   -3.302200      -1.438800     -0.7708000    
 C   -2.998900       3.209100      0.7129000    
 C   -4.776300       1.260400     -0.3124000    
 C   -3.874800      -2.352700      0.3136000    
 C   -4.343100       3.517400      0.4750000    
 C   -5.216300       2.556600     -2.9999999E-02
 C    4.180500      0.3483000     -0.4193000    
 C   -4.412000      -3.662200     -0.2222000    
 C    4.532000     -0.7170000      -1.229800    
 C    4.597100      0.4249000      0.8984000    
 C    5.324900      -1.738200     -0.7061000    
 C    5.390100     -0.5962000       1.421800    
 C    5.754000      -1.677800      0.6196000    
 H    2.034300       1.098100       1.347800    
 H   0.2190000       2.791700      0.6553000    
 H  -2.1800000E-02   1.860100       2.138600    
 H   0.6568000     -0.8255000       1.921200    
 H    1.704200      -1.283200      0.5831000    
 H  -0.7385000      -2.044600      0.4350000    
 H  -9.9799998E-02  -1.241800      -1.003300    
 H    1.012700      0.7087000      -1.480200    
 H   -4.073700      -1.178800      -1.504700    
 H   -2.522100      -1.959400      -1.338800    
 H   -2.330200       3.969100       1.107000    
 H   -5.467500      0.5199000     -0.7003000    
 H   -3.097300      -2.586500       1.049900    
 H   -4.692900      -1.840200      0.8328000    
 H   -4.708600       4.518500      0.6877000    
 H   -6.256800       2.817300     -0.2062000    
 H    4.201500     -0.7871000      -2.261400    
 H    4.334900       1.261400       1.538400    
 H    5.606800      -2.581500      -1.329700    
 H    5.726200     -0.5487000       2.453500    
 H   -5.216900      -5.310300      0.4398000    


%chk=000005036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005036

0 1
S 2.963984 1.521254 -0.384582
F 7.945463 -1.858810 -0.666252
O 3.173504 2.525319 0.888789
O 2.641187 2.052772 -1.891022
O -6.068974 -3.879980 1.138013
O -4.975090 -4.135530 -0.895685
N -2.813749 -0.461441 -0.177528
N 1.612663 0.276099 0.021234
C 1.008176 0.471287 1.379442
C -0.096209 1.564978 1.405372
C -1.583093 -0.303698 0.496847
C -1.340665 1.055215 0.716700
C 0.445611 -0.905310 1.828872
C -0.663831 -1.433970 0.879046
C -2.465657 1.786227 0.169441
C -3.375749 0.812018 -0.378400
C -3.453204 -1.730499 -0.532995
C -2.795865 3.163474 0.081713
C -4.589304 1.181115 -0.999079
C -4.483271 -2.176245 0.532454
C -4.005624 3.537303 -0.536937
C -4.892275 2.557216 -1.071712
C 4.508392 0.446808 -0.466588
C -5.163095 -3.474296 0.149797
C 4.763859 -0.258252 -1.655123
C 5.357749 0.428119 0.651746
C 5.934751 -1.043938 -1.723106
C 6.529543 -0.357405 0.584789
C 6.781224 -1.075960 -0.598454
H 1.827661 0.769823 2.058822
H 0.289807 2.486543 0.929128
H -0.306137 1.833218 2.461183
H 0.032987 -0.778838 2.848503
H 1.269964 -1.637592 1.880784
H -1.211218 -2.255281 1.383178
H -0.194502 -1.882260 -0.021050
H 0.914911 0.444115 -0.735246
H -3.949328 -1.629040 -1.514154
H -2.679496 -2.506540 -0.655315
H -2.119959 3.925999 0.484880
H -5.274835 0.437380 -1.420647
H -4.001212 -2.306955 1.519295
H -5.257894 -1.400006 0.677635
H -4.272152 4.597244 -0.613445
H -5.824140 2.878828 -1.550079
H 4.083817 -0.177820 -2.508454
H 5.120406 1.030378 1.534181
H 6.191950 -1.613805 -2.619906
H 7.233451 -0.409959 1.419599
H -6.503935 -4.731803 0.859718


