%chk=000031145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031145

0 1
 Cl  -6.569100      -2.304400       1.459500    
 Cl  -8.029100      0.5023000      0.7810000    
 S   -2.293000     -0.7709000      -1.520600    
 O    4.996500      -2.403000      0.3962000    
 O    6.515200     -0.1964000     -0.3364000    
 O   -2.108900      0.1468000      -2.689800    
 N   0.5019000       1.757700      0.9970000    
 C   0.9608000      0.3718000      0.7552000    
 C    2.448600      0.2364000      0.4749000    
 C    1.079800       2.701400      3.2099999E-02
 C   0.1413000     -0.2408000     -0.3922000    
 C    2.610000       2.725600      3.6300000E-02
 C    3.219100       1.349600      9.3599997E-02
 C   -1.341700     -6.8200000E-02 -0.1386000    
 C    3.065100      -1.021500      0.5715000    
 C   0.7275000       2.177400       2.380500    
 C    4.586700       1.189700     -0.1723000    
 C    4.424200      -1.171000      0.2966000    
 C    5.184400     -6.6000000E-02 -7.5599998E-02
 C   -3.932800     -0.4243000     -0.8537000    
 C   -4.561300      -1.367700     -5.0099999E-02
 C   -4.552300      0.7836000      -1.149900    
 C    4.148800      -3.482700      0.7832000    
 C    6.886700     -0.4896000      -1.682200    
 C   -5.829300      -1.099000      0.4653000    
 C   -5.820400       1.052100     -0.6345000    
 C   -6.458800      0.1110000      0.1730000    
 H   0.7379000     -0.2206000       1.654500    
 H   0.6954000       3.713000      0.2137000    
 H   0.7271000       2.443900     -0.9746000    
 H   0.3735000      -1.310100     -0.4880000    
 H   0.4204000      0.2089000      -1.354400    
 H    2.969300       3.296700      0.9013000    
 H    2.954800       3.244200     -0.8664000    
 H   -1.632900      0.9833000     -5.8300000E-02
 H   -1.636700     -0.5882000      0.7789000    
 H    2.426700      -1.847500      0.8682000    
 H    1.781700       2.144500       2.674900    
 H   0.1641000       1.535800       3.067400    
 H   0.3578000       3.196700       2.538400    
 H    5.188600       2.052200     -0.4501000    
 H   -4.066600      -2.309700      0.1755000    
 H   -4.072800       1.534300      -1.771400    
 H    3.750600      -3.341400       1.793800    
 H    4.768900      -4.384800      0.8101000    
 H    3.360300      -3.662100      4.4300001E-02
 H    7.976300     -0.5683000      -1.727400    
 H    6.565300      0.3144000      -2.352000    
 H    6.453100      -1.442100      -2.003000    
 H   -6.295900       2.000800     -0.8712000    


%chk=000031145-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031145

0 1
Cl -7.254797 -1.284552 1.263447
Cl -7.720039 1.928174 0.746424
S -2.392153 -0.954652 -1.604099
O 5.536587 -1.962208 0.310753
O 6.403932 0.521349 -0.781655
O -1.671419 0.320458 -2.426927
N 0.202374 1.217484 1.114868
C 0.885144 -0.076603 0.853236
C 2.358215 0.083904 0.444248
C 0.433167 2.189234 0.010006
C 0.121388 -0.883472 -0.252663
C 1.933183 2.540254 -0.179129
C 2.831858 1.309687 -0.090429
C -1.360287 -1.023483 0.083473
C 3.243491 -1.015904 0.569460
C 0.487999 1.766757 2.459716
C 4.182328 1.385680 -0.511393
C 4.592993 -0.926109 0.166927
C 5.067410 0.296784 -0.404184
C -3.954488 -0.162480 -0.856989
C -4.891602 -0.936682 -0.152050
C -4.134876 1.208116 -1.102574
C 5.091596 -3.190684 0.969903
C 7.020692 -0.441649 -1.717594
C -6.046648 -0.295543 0.346166
C -5.293979 1.837126 -0.601107
C -6.245421 1.085938 0.123152
H 0.836042 -0.661461 1.794793
H -0.149533 3.103468 0.227356
H 0.017386 1.757269 -0.919054
H 0.609512 -1.865184 -0.388023
H 0.220015 -0.333284 -1.210370
H 2.248395 3.268938 0.596091
H 2.074458 3.046403 -1.153511
H -1.703600 -0.143069 0.653052
H -1.660474 -1.974335 0.554681
H 2.866272 -1.947030 1.008515
H 1.564859 1.987419 2.648953
H 0.150322 1.049156 3.229860
H -0.082892 2.703167 2.594869
H 4.582023 2.313589 -0.936016
H -4.753367 -2.009602 0.016426
H -3.371476 1.744547 -1.680217
H 4.737285 -2.986757 1.999076
H 5.981196 -3.836833 1.005489
H 4.289571 -3.692707 0.393619
H 8.028506 -0.042581 -1.909415
H 6.446507 -0.480813 -2.663934
H 7.079022 -1.447015 -1.269797
H -5.469878 2.903592 -0.769229


