%chk=000083321.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083321

0 1
 Cl   2.015300      -2.231800     -0.5050000    
 S    6.694500      0.3855000      0.1715000    
 O    7.193400     -0.8842000     -0.3371000    
 O    7.269300       1.633600     -0.3116000    
 O   -3.129400      -3.276400     -6.9399998E-02
 N   -5.301600      0.8997000     -0.3842000    
 N   -1.322100      -1.787100      0.1971000    
 N   0.2312000      0.5717000      0.4215000    
 N   0.8220000      0.5509000     -0.6829000    
 C   -3.908700      0.8110000     -0.1820000    
 C   -5.948900       2.193200     -0.4784000    
 C   -6.102400     -0.3015000     -0.5145000    
 C   -3.295100     -0.4383000     -9.1399997E-02
 C   -3.144800       1.972900     -7.1400002E-02
 C   -1.917600     -0.5258000      0.1097000    
 C   -1.153800      0.6360000      0.2202000    
 C   -6.185100       2.761100      0.9079000    
 C   -6.578000     -0.7626000      0.8499000    
 C   -1.767400       1.885400      0.1299000    
 C    4.967000      0.4239000     -7.9300001E-02
 C    2.211200      0.4867000     -0.4806000    
 C    4.249800     -0.7680000     -0.1824000    
 C    4.304200       1.647400     -0.1772000    
 C    2.869900     -0.7366000     -0.3833000    
 C    2.924300       1.678900     -0.3781000    
 C    6.883900      0.3783000       1.940000    
 C   -1.938600      -3.040600      0.1076000    
 C  -0.9424000      -4.163500      0.2534000    
 H   -6.925500       2.092700     -0.9689000    
 H   -5.398900       2.893200      -1.117300    
 H   -5.615600      -1.103200      -1.079100    
 H   -6.995200     -8.1699997E-02  -1.115000    
 H   -3.899700      -1.323200     -0.1463000    
 H   -3.558400       2.973100     -0.1336000    
 H   -6.631000       3.758200      0.8281000    
 H   -5.267500       2.855500       1.495100    
 H   -6.879000       2.142500       1.483500    
 H   -7.128000      -1.704500      0.7534000    
 H   -7.256400     -3.7400000E-02   1.307200    
 H   -5.746600     -0.9294000       1.541700    
 H   -1.180600       2.796500      0.2153000    
 H  -0.3145000      -1.777200      0.3413000    
 H    4.759400      -1.724900     -9.9600002E-02
 H    4.842000       2.587500     -9.3599997E-02
 H    2.417100       2.637400     -0.4525000    
 H    6.440900       1.288400       2.348800    
 H    7.952000      0.3497000       2.166200    
 H    6.393900     -0.5087000       2.345800    
 H  -0.2368000      -3.952500       1.061700    
 H   -1.470600      -5.091100      0.4922000    
 H  -0.4013000      -4.292800     -0.6874000    


%chk=000083321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083321

0 1
Cl 2.714989 2.685808 -2.256812
S 6.871456 0.646051 0.866162
O 7.554287 2.026526 0.311885
O 6.993978 0.161875 2.425561
O -3.313127 -3.076771 1.686453
N -5.467668 0.559256 -0.756557
N -1.492884 -1.752153 1.023733
N 0.109432 0.139781 0.048428
N 0.920803 1.040930 -0.482390
C -4.094982 0.489637 -0.553172
C -6.087232 1.720547 -1.440434
C -6.375909 -0.484896 -0.217716
C -3.519933 -0.609063 0.164229
C -3.212186 1.510426 -1.073452
C -2.130109 -0.697063 0.338182
C -1.251715 0.321916 -0.192927
C -6.244603 2.973086 -0.546111
C -6.721554 -0.318610 1.280728
C -1.835414 1.415417 -0.899983
C 5.027897 0.708090 0.439793
C 2.287855 0.868112 -0.149651
C 4.626161 1.552605 -0.607272
C 4.131423 -0.034174 1.229731
C 3.250772 1.618339 -0.892138
C 2.763061 0.052487 0.924251
C 7.563639 -0.781204 -0.210386
C -2.063260 -2.859481 1.647628
C -1.062666 -3.812402 2.294526
H -7.080968 1.398439 -1.798442
H -5.498834 1.969362 -2.343203
H -5.925432 -1.479006 -0.391021
H -7.303901 -0.452861 -0.816381
H -4.127151 -1.402804 0.596698
H -3.615367 2.370187 -1.613421
H -6.685411 3.801734 -1.130167
H -5.270514 3.309871 -0.151627
H -6.906653 2.768102 0.312748
H -7.374791 -1.148122 1.607173
H -7.251964 0.631502 1.467759
H -5.812828 -0.337875 1.905535
H -1.161168 2.180017 -1.297506
H -0.468959 -1.634508 1.032830
H 5.355948 2.157984 -1.154170
H 4.501413 -0.622713 2.075869
H 2.019531 -0.488955 1.516123
H 7.026742 -1.693883 0.081933
H 8.632364 -0.828421 0.041387
H 7.395585 -0.501677 -1.259323
H -0.011466 -3.498934 2.176171
H -1.291559 -3.897677 3.370895
H -1.187328 -4.816932 1.854748


