%chk=000131358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131358

0 1
 S  -0.5148000     -0.1859000       2.804600    
 F   -1.868500       2.345300      0.5676000    
 F   -1.865300      -2.399800      0.2521000    
 F   -4.272500      -2.314200     -0.9952000    
 F   -4.275400       2.422500     -0.6807000    
 O    3.187300      2.3499999E-02 -0.3305000    
 O    4.803400      -2.246800     -0.9446000    
 O    4.764300       2.359300     -0.7801000    
 O    3.922900     -0.1202000       1.836700    
 N    4.518600      4.8200000E-02 -0.6991000    
 N   0.6154000     -3.0800000E-02  0.4849000    
 N   -5.546600      9.7099997E-02  -1.498000    
 N   -6.508600      4.3800000E-02 -0.7010000    
 N   -7.391200     -4.6999999E-03  2.1000000E-02
 C    6.613900     -0.6784000      -1.292400    
 C    6.601000      0.8507000      -1.237700    
 C    5.205000      -1.093600     -0.9653000    
 C    5.185400       1.217600     -0.8828000    
 C   -1.830800     -2.8500000E-02  0.4287000    
 C  -0.5494000     -7.1900003E-02   1.092700    
 C    1.588000     -9.4099998E-02   1.442600    
 C   -2.449600       1.197700      0.1884000    
 C   -2.448100      -1.212900      2.8000001E-02
 C    2.995600     -6.6699997E-02   1.035000    
 C   -3.686000      -1.171100     -0.6135000    
 C   -3.687500       1.239600     -0.4532000    
 C    1.199200     -0.1811000       2.745800    
 C   -4.305700      5.5199999E-02 -0.8541000    
 H    7.304300      -1.096700     -0.5541000    
 H    6.884300      -1.037600      -2.289600    
 H    6.864800       1.284600      -2.206600    
 H    7.284600       1.226800     -0.4710000    
 H    1.795200     -0.2408000       3.645600    


%chk=000131358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131358

0 1
S -0.297098 -1.473554 3.035245
F -0.923379 0.446326 -1.327468
F -3.023425 -1.270554 2.728078
F -5.463130 -0.791537 1.645922
F -3.370518 0.912062 -2.373266
O 3.117012 0.108584 -0.224882
O 4.757969 -1.737801 -1.750804
O 4.660005 2.505908 0.303602
O 4.150948 -0.783663 1.713309
N 4.442340 0.356786 -0.679364
N 0.621176 -0.393092 0.754363
N -5.798004 0.281894 -0.854268
N -6.057851 0.774045 -1.999126
N -6.555582 1.199369 -2.982001
C 6.498783 0.073583 -1.779976
C 6.468647 1.469939 -1.099761
C 5.164599 -0.601591 -1.444155
C 5.115077 1.576603 -0.389152
C -1.851534 -0.434980 0.762663
C -0.529565 -0.682987 1.337726
C 1.725551 -0.739480 1.529092
C -2.013217 0.122144 -0.541442
C -3.066324 -0.720667 1.444845
C 3.115168 -0.508507 1.087997
C -4.334315 -0.480413 0.902054
C -3.280624 0.365470 -1.091635
C 1.440939 -1.322467 2.763990
C -4.483864 0.076356 -0.395567
H 7.317205 -0.566664 -1.410293
H 6.598562 0.131725 -2.877244
H 6.556612 2.301537 -1.819436
H 7.267484 1.599436 -0.350353
H 2.163550 -1.657710 3.505510


