%chk=000040957.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040957

0 1
 Cl  -3.053000       1.559400     -0.2199000    
 S    1.234200       2.269100     -0.3219000    
 O    1.325200      -2.386600     -8.2400002E-02
 O   -2.188000      -1.597900       1.060800    
 O   -1.894600      -1.731100      -1.203400    
 N   0.4768000     -0.2148000      0.2668000    
 N    3.239200      0.1245000     -0.8275000    
 C    1.383000      0.8158000      0.7448000    
 C    2.524000     -0.1695000      0.4100000    
 C    1.388200      -1.206400      0.1713000    
 C  -0.8510000     -1.2700000E-02  6.4700000E-02
 C  -0.5364000       2.514900      6.4400002E-02
 C   -1.354900       1.239000      1.0000000E-03
 C   -1.692600      -1.203700     -0.1286000    
 H    1.267500       1.013100       1.817500    
 H    3.174400     -0.4146000       1.254900    
 H  -0.9090000       3.246700     -0.6603000    
 H  -0.6219000       2.957400       1.062900    
 H    2.640500      0.4207000      -1.597500    
 H    3.786500     -0.6597000      -1.180100    
 H   -2.757700      -2.392300      0.9786000    


%chk=000040957-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040957

0 1
Cl -3.205112 1.812719 -0.155438
S 1.281276 2.251029 -0.468946
O 1.078548 -2.257444 -0.761487
O -1.493812 -2.128100 0.978780
O -3.051036 -1.242936 -0.506823
N 0.309122 -0.220629 0.358567
N 3.479789 0.057024 -0.585933
C 1.342383 0.769347 0.711299
C 2.452794 -0.301446 0.345030
C 1.234654 -1.197631 -0.138936
C -1.059076 0.050864 0.135825
C -0.559764 2.577105 -0.110719
C -1.446497 1.354684 -0.055697
C -1.986237 -1.126215 0.134595
H 1.286058 1.132582 1.748786
H 2.907162 -0.715559 1.260737
H -0.892865 3.234869 -0.931982
H -0.638206 3.149393 0.831376
H 3.208107 0.250703 -1.548824
H 4.404751 -0.345293 -0.458857
H -2.071639 -2.933765 0.894747


