%chk=000031859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031859

0 1
 Cl   3.435000       2.304300       1.270800    
 S    4.701700     -0.3369000      0.7344000    
 O   9.3000002E-02  2.0600000E-02  4.7300000E-02
 O    1.033800       1.768600      -1.118200    
 N   -3.587900      0.1061000      0.2186000    
 N    4.008700      -1.583900     -0.1185000    
 C   -2.230400     -0.3914000      0.4390000    
 C   -4.563500     -0.7624000      0.8763000    
 C   -3.871300      0.2013000      -1.212900    
 C   -1.209100      0.5319000     -0.2058000    
 C   -4.284200     -0.8730000       2.365500    
 C   -5.256100      0.7744000      -1.461500    
 C    1.128500      0.7393000     -0.4679000    
 C    2.428000      0.1022000     -0.1362000    
 C    2.800000      -1.191400     -0.5137000    
 C    3.381100      0.7430000      0.5799000    
 C    1.992700      -2.152600      -1.297100    
 H   -2.101200      -1.413700      5.8300000E-02
 H   -1.974100     -0.4241000       1.503600    
 H   -5.570800     -0.3411000      0.7949000    
 H   -4.586500      -1.765100      0.4310000    
 H   -3.198400      0.9073000      -1.706100    
 H   -3.770800     -0.7666000      -1.719600    
 H   -1.290700       1.545300      0.2059000    
 H   -1.312200      0.5700000      -1.293300    
 H   -3.434100      -1.526000       2.585700    
 H   -4.111300      0.1076000       2.822300    
 H   -5.151900      -1.316000       2.867800    
 H   -6.051500      5.2299999E-02  -1.253100    
 H   -5.433500       1.680100     -0.8713000    
 H   -5.355700       1.049600      -2.517800    
 H    1.207700      -2.589900     -0.6715000    
 H    1.517100      -1.659100      -2.151200    
 H    2.604000      -2.971700      -1.691300    


%chk=000031859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031859

0 1
Cl 3.880952 2.786128 -0.330316
S 5.124783 -0.013738 -0.496577
O 0.143486 -0.054274 -0.109329
O 0.945938 2.119166 0.100441
N -3.599494 -0.210736 -0.093573
N 4.111583 -1.517706 -0.404520
C -2.199680 -0.694649 -0.151680
C -4.526558 -1.142994 0.601032
C -4.104138 0.259079 -1.413304
C -1.242855 0.487031 0.047136
C -4.335641 -1.149377 2.129659
C -5.210042 1.324476 -1.291519
C 1.168827 0.894702 -0.056008
C 2.509391 0.271592 -0.211942
C 2.814721 -1.162023 -0.263220
C 3.684061 1.023438 -0.325981
C 1.839523 -2.309248 -0.165529
H -1.963589 -1.209004 -1.113191
H -2.028369 -1.430432 0.653762
H -5.558031 -0.815174 0.378787
H -4.433264 -2.185089 0.202593
H -3.251289 0.700296 -1.962808
H -4.468599 -0.597448 -2.035093
H -1.349105 0.927179 1.053243
H -1.398149 1.286393 -0.699212
H -3.320496 -1.478583 2.418221
H -4.492506 -0.135315 2.536279
H -5.057062 -1.839210 2.606030
H -6.101644 0.935758 -0.767451
H -4.837400 2.196457 -0.726743
H -5.532754 1.661362 -2.294258
H 1.272641 -2.264572 0.779746
H 1.101654 -2.267474 -0.983718
H 2.399205 -3.257012 -0.216660


