%chk=000083924.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083924

0 1
 Cl   7.653300      0.5522000     -0.5047000    
 S   -3.882100       2.005900      -1.350500    
 O   -6.602200     -2.7100001E-02   2.000200    
 O    2.707900       2.170100      -1.434400    
 O    5.396900       1.081600       1.187700    
 N   -4.441500     -0.1564000       1.103900    
 N   -6.201500     -0.2874000     -0.2932000    
 N    2.793500      0.9850000      0.5581000    
 C   -3.842600     -0.3686000     -0.2001000    
 C   -5.047900     -0.3782000      -1.166600    
 C   -2.843300      0.7117000     -0.6230000    
 C   -4.983100      0.8043000      -2.130600    
 C   -1.949100       1.250600      0.4812000    
 C  -0.6813000       1.889500     -8.6099997E-02
 C   -5.839700     -0.1401000       1.050100    
 C   0.2283000       2.405200       1.033000    
 C    1.517600       3.024500      0.4956000    
 C    2.403100       2.041700     -0.2518000    
 C    3.619300     -9.2500001E-02  6.7500003E-02
 C    3.346700      -1.384700      0.8399000    
 C    5.061800      0.3736000      0.2375000    
 C    2.089000      -2.085000      0.3885000    
 C    6.029600     -6.6900000E-02 -0.8397000    
 C   0.8686000      -1.786500      0.9946000    
 C    2.146400      -3.030900     -0.6352000    
 C  -0.2943000      -2.433800      0.5772000    
 C   0.9834000      -3.678100      -1.052600    
 C  -0.2370000      -3.379600     -0.4464000    
 H   -3.356800      -1.350000     -0.1628000    
 H   -5.130600      -1.322100      -1.715800    
 H   -2.231000      0.3020000      -1.436200    
 H   -4.525000      0.4976000      -3.076500    
 H   -5.961200       1.245100      -2.344400    
 H   -1.640600      0.4198000       1.128200    
 H   -2.481300       1.962300       1.124900    
 H   -3.916800     -0.1124000       1.971900    
 H   -7.163400     -0.3360000     -0.6143000    
 H  -0.1442000       1.148200     -0.6896000    
 H  -0.9400000       2.721500     -0.7514000    
 H  -0.3094000       3.168200       1.609100    
 H   0.4527000       1.589900       1.729700    
 H    1.284200       3.856200     -0.1792000    
 H    2.100800       3.439000       1.326600    
 H    3.427100     -0.2201000      -1.004600    
 H    2.578600       1.012200       1.550600    
 H    4.190800      -2.076800      0.7165000    
 H    3.294900      -1.193600       1.920500    
 H    5.705900      0.3268000      -1.806300    
 H    6.075600      -1.158000     -0.8694000    
 H   0.8101000      -1.053500       1.794600    
 H    3.090700      -3.270200      -1.117000    
 H   -1.243400      -2.204100       1.051900    
 H    1.027600      -4.413900      -1.850200    
 H   -1.142600      -3.883300     -0.7712000    


%chk=000083924-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083924

0 1
Cl 7.544363 1.621442 -0.741730
S -3.552179 1.791387 -1.813799
O -6.806470 0.666490 1.575930
O 2.786055 1.919310 -1.462380
O 5.950019 -0.157640 1.186461
N -4.633345 -0.032423 0.893366
N -6.259630 -0.037433 -0.633799
N 2.996725 0.783751 0.547623
C -3.940353 -0.498219 -0.309426
C -5.093644 -0.477158 -1.404627
C -2.756965 0.400267 -0.778043
C -4.693389 0.487216 -2.554450
C -1.880086 0.956059 0.353627
C -0.604893 1.664538 -0.155101
C -5.991811 0.253683 0.708826
C 0.270022 2.195731 1.000162
C 1.606242 2.823123 0.512653
C 2.503396 1.828749 -0.225211
C 3.814508 -0.303175 -0.023088
C 3.539183 -1.657822 0.671034
C 5.312756 0.110823 0.143414
C 2.081075 -2.094715 0.615072
C 5.863095 0.884409 -1.046003
C 1.353617 -2.332889 1.808532
C 1.427376 -2.304106 -0.627699
C 0.010485 -2.774857 1.766201
C 0.087281 -2.745767 -0.676050
C -0.627088 -2.984848 0.522432
H -3.549017 -1.526696 -0.163908
H -5.257999 -1.489687 -1.824267
H -2.133366 -0.192318 -1.477205
H -4.147961 -0.055205 -3.347018
H -5.567765 0.994627 -2.991869
H -1.577022 0.108364 1.005295
H -2.482543 1.650193 0.971949
H -4.197470 0.075658 1.804376
H -7.187079 0.105084 -1.024045
H -0.018398 0.954113 -0.771249
H -0.881944 2.502670 -0.824625
H -0.289975 2.966373 1.565558
H 0.475216 1.370790 1.713795
H 1.400463 3.647318 -0.190935
H 2.155679 3.247392 1.376329
H 3.565967 -0.339168 -1.099468
H 2.797494 0.755556 1.549962
H 4.182287 -2.414546 0.180269
H 3.892127 -1.595010 1.717122
H 5.171716 1.695475 -1.332493
H 5.962378 0.202799 -1.910519
H 1.847421 -2.190599 2.778066
H 1.971247 -2.132501 -1.565130
H -0.529962 -2.966982 2.699955
H -0.394318 -2.916903 -1.645656
H -1.661021 -3.347825 0.487487


