%chk=000029234.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029234

0 1
 Cl  -2.734700       3.007800      4.4999998E-03
 S   -4.672500      0.4204000     -9.7900003E-02
 O    3.895800     -0.3107000     -0.7353000    
 O   -1.293400      -3.393700      0.7463000    
 O   -5.256100     -0.7974000      0.4420000    
 O   -5.059900       1.714500      0.4407000    
 O   0.6593000      -2.841400     -0.2775000    
 N    1.241300     -0.1763000      0.2495000    
 N   -4.892500      0.4384000      -1.791100    
 C    3.599900      0.4889000      0.4149000    
 C    4.559300       1.679000      0.4912000    
 C    6.008600       1.202400      0.4933000    
 C    6.259300      0.2457000     -0.6670000    
 C    2.155700      0.9563000      0.2980000    
 C    5.212600     -0.8601000     -0.6895000    
 C  -0.1283000     -3.9799999E-02  0.1691000    
 C  -0.9917000      -1.156900      0.1235000    
 C  -0.7157000       1.243300      0.1295000    
 C   -2.928700      0.2819000      4.4999998E-03
 C   -2.374900     -0.9977000      4.2199999E-02
 C   -2.099100       1.402500      4.8200000E-02
 C  -0.4441000      -2.507200      0.1610000    
 H    3.704800     -0.1384000       1.310400    
 H    4.361100       2.278600       1.386600    
 H    4.411600       2.329000     -0.3807000    
 H    6.223100      0.6918000       1.440000    
 H    6.687400       2.059800      0.4283000    
 H    6.203100      0.8117000      -1.604900    
 H    7.264900     -0.1820000     -0.5979000    
 H    2.042000       1.543700     -0.6218000    
 H    1.917600       1.593900       1.157700    
 H    5.345800      -1.480600      -1.581200    
 H    5.304400      -1.514500      0.1853000    
 H    1.638500      -1.107900      0.2751000    
 H  -9.7999997E-02   2.138100      0.1603000    
 H   -3.023200      -1.868000     -1.7100001E-02
 H   -5.312600     -0.3918000      -2.226700    
 H   -5.176800       1.324600      -2.226000    
 H  -0.9178000      -4.299600      0.7678000    


%chk=000029234-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029234

0 1
Cl -2.894612 2.999269 -0.186300
S -4.802655 0.192970 0.066286
O 3.949512 -0.457203 -0.558516
O -1.204422 -3.569497 0.122005
O -5.257941 -1.370087 0.014207
O -5.326054 1.183292 1.241764
O 0.963306 -2.755731 0.054221
N 1.284728 -0.073164 0.018051
N -5.265067 0.880743 -1.575270
C 3.605029 0.647177 0.359947
C 4.640213 1.785620 0.265752
C 6.059766 1.238697 0.557394
C 6.379180 0.035380 -0.362284
C 2.188299 1.080302 -0.037851
C 5.274080 -1.031154 -0.250102
C -0.080009 0.003652 -0.007738
C -0.906482 -1.190330 0.031896
C -0.744382 1.276439 -0.075531
C -2.926252 0.184981 -0.000904
C -2.315867 -1.071064 0.033790
C -2.136253 1.354223 -0.067607
C -0.283240 -2.520226 0.068502
H 3.590799 0.247614 1.401836
H 4.379676 2.590500 0.980639
H 4.607651 2.215927 -0.754613
H 6.117828 0.917012 1.617845
H 6.811632 2.037798 0.423463
H 6.447121 0.375418 -1.413580
H 7.354355 -0.414415 -0.093157
H 2.213890 1.514717 -1.059715
H 1.853106 1.870180 0.662454
H 5.405296 -1.846687 -0.979598
H 5.256562 -1.462770 0.775735
H 1.707967 -1.014843 -0.049227
H -0.164254 2.197736 -0.152958
H -2.939542 -1.970523 0.067353
H -6.003759 0.272190 -1.966260
H -5.554676 1.865004 -1.457120
H -0.708427 -4.430845 0.140492


