%chk=000036956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036956

0 1
 S   -2.874700      -1.337700      0.2268000    
 F    2.034200       2.284000      0.4742000    
 F    3.055900      0.5645000       1.341500    
 F    3.095300      0.8861000     -0.8145000    
 F    2.148000      -1.591300      -1.059400    
 F   0.2787000      -2.103500     -6.1999999E-02
 F    2.092200      -1.776400       1.102200    
 O   0.2672000      0.3380000       1.320100    
 O   -1.603300      0.5336000      -2.632700    
 C    1.041700      0.1414000      0.1374000    
 C   0.2454000      0.6575000      -1.085600    
 C   -1.085600     -4.2900000E-02  -1.427400    
 C    2.316700      0.9754000      0.2874000    
 C    1.391200      -1.342000      3.4000002E-02
 C   -2.166200      8.0499999E-02 -0.3798000    
 C   -2.665800       1.222100      0.1616000    
 C   -3.678500      0.9326000       1.121100    
 C   -3.892300     -0.4217000       1.255100    
 H   3.9500002E-02   1.728600     -0.9476000    
 H   0.8849000      0.6048000      -1.977800    
 H  -0.8928000      -1.090200      -1.677200    
 H   9.7900003E-02   1.291300       1.412400    
 H   -2.340800       2.220900     -9.9399999E-02
 H   -1.660800       1.496600      -2.509600    
 H   -4.222500       1.679600       1.684400    
 H   -4.597500     -0.9169000       1.907700    


%chk=000036956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036956

0 1
S -3.552130 -0.986248 0.114833
F 1.132243 2.248326 0.968030
F 2.894686 0.930241 1.502712
F 2.696355 1.756809 -0.596886
F 2.898048 -0.948372 -1.305997
F 1.159662 -2.299798 -0.766100
F 2.689981 -1.750407 0.802302
O 0.346918 -0.415017 1.252995
O -1.659536 -0.075983 -2.670221
C 1.084770 -0.011408 0.076432
C 0.222762 0.412144 -1.157399
C -1.143945 -0.310993 -1.300599
C 1.976199 1.210698 0.490138
C 1.969847 -1.247168 -0.281222
C -2.157271 0.105635 -0.256053
C -2.285390 1.312377 0.438852
C -3.460801 1.386454 1.270435
C -4.243975 0.244791 1.212607
H 0.054156 1.502939 -1.124731
H 0.788965 0.211031 -2.082095
H -0.988529 -1.401601 -1.278102
H -0.595492 -0.088785 1.188521
H -1.564237 2.131688 0.368309
H -2.078185 0.823294 -2.704613
H -3.706590 2.250679 1.891005
H -5.170510 0.023573 1.739746


