%chk=000031866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031866

0 1
 Cl   1.597500      0.7833000      -2.643100    
 S   -2.785600      0.7400000       2.048800    
 S    4.682000      -2.276000     -0.9515000    
 F    4.289900       1.319100       1.676400    
 O   -2.568900      -2.933000     -0.3595000    
 O   -4.046200     -0.1715000      -2.345700    
 O   -6.116400      0.1070000      -1.433100    
 O    1.426700      -1.092400       2.175100    
 N   -2.789500     -0.5901000     -0.1775000    
 N   0.2346000      -1.306300      0.2136000    
 N    4.505400     -0.6258000      -1.041300    
 C   -1.799300      0.1182000      0.6394000    
 C   -4.290300      0.9110000      0.9661000    
 C   -4.200200     -0.2978000      8.2999999E-03
 C   -1.091000      -1.229100      0.8348000    
 C   -2.218200      -1.821600     -3.3300001E-02
 C   -5.543700      0.8450000       1.840800    
 C   -4.211500       2.273700      0.2625000    
 C   -4.917400     -9.5399998E-02  -1.310200    
 C    1.421700      -1.229900      0.9522000    
 C    2.671000      -1.353600      0.1894000    
 C    3.393600     -0.2941000     -0.3890000    
 C    3.263700      -2.559700     -3.3799998E-02
 C    3.029900       1.104500     -0.3314000    
 C    2.888400      -3.930700      0.3642000    
 C    2.221900       1.684200      -1.304900    
 C    3.510500       1.864800      0.7307000    
 C    1.891100       3.036500      -1.215400    
 C    3.179800       3.217000      0.8201000    
 C    2.370300       3.802800     -0.1528000    
 H   -1.259700      0.8821000      7.0799999E-02
 H   -4.646400      -1.193100      0.4635000    
 H   -1.102400      -1.637800       1.852100    
 H   -5.570900       1.664000       2.569000    
 H   -6.450100      0.9228000       1.230300    
 H   -5.604400     -9.8800004E-02   2.395100    
 H   -4.142300       3.094800      0.9861000    
 H   -3.348600       2.345200     -0.4091000    
 H   -5.108200       2.460800     -0.3388000    
 H   0.3145000      -1.422600     -0.7942000    
 H   -4.492100     -4.3000001E-02  -3.209900    
 H    3.751600      -4.485800      0.7468000    
 H    2.129800      -3.927700       1.153200    
 H    2.478500      -4.479100     -0.4904000    
 H    1.260600       3.508900      -1.964400    
 H    3.552700       3.813400       1.647600    
 H    2.112600       4.855500     -8.2800001E-02


%chk=000031866-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031866

0 1
Cl 1.585936 0.107531 -2.940437
S -2.755032 0.474255 2.278288
S 5.227819 -2.221788 -0.546499
F 3.651488 1.435077 1.649757
O -2.444258 -2.682686 -0.979815
O -3.840874 1.145470 -2.263692
O -5.998073 0.663041 -1.551065
O 1.252386 -2.284120 2.033450
N -2.710695 -0.376154 -0.256176
N 0.402659 -1.246675 0.127875
N 4.611319 -0.561163 -0.886001
C -1.719811 0.143241 0.721970
C -4.237211 0.985629 1.120290
C -4.118191 -0.006164 -0.124180
C -0.955423 -1.233398 0.617469
C -2.109037 -1.656659 -0.364975
C -5.558594 0.761596 1.874171
C -4.050676 2.465156 0.718267
C -4.762155 0.613311 -1.365169
C 1.447846 -1.761274 0.893254
C 2.804774 -1.663513 0.260776
C 3.354667 -0.485801 -0.396494
C 3.717188 -2.720418 0.290528
C 2.701928 0.857038 -0.491093
C 3.558403 -4.097805 0.865744
C 1.923842 1.291180 -1.589094
C 2.889083 1.812524 0.536076
C 1.366006 2.579558 -1.678847
C 2.355024 3.110671 0.503696
C 1.590588 3.490444 -0.620723
H -1.163277 1.041816 0.416464
H -4.712882 -0.913486 0.097457
H -0.987593 -1.806848 1.560407
H -5.641815 1.451501 2.732099
H -6.410108 0.952416 1.194903
H -5.637692 -0.273153 2.250192
H -4.004814 3.090661 1.624944
H -3.122766 2.623035 0.141652
H -4.904622 2.813156 0.105419
H 0.583854 -0.972109 -0.842612
H -4.331816 1.523332 -3.044320
H 4.488913 -4.445465 1.347435
H 2.755511 -4.090281 1.620166
H 3.296820 -4.829342 0.077637
H 0.774045 2.862895 -2.552562
H 2.543725 3.795044 1.334803
H 1.168590 4.498423 -0.676634


