%chk=000112579.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112579

0 1
 Cl   2.754900      -2.576100      0.3901000    
 S    7.396700      0.1622000     -1.1800000E-02
 O   -6.138500       3.562700      0.5768000    
 O    7.893400       1.415700      0.5378000    
 O    7.921800      -1.102600      0.4840000    
 N   -4.678900      0.2557000     -0.1523000    
 N   0.9505000      0.1973000     -0.5893000    
 N    1.485900      0.1744000      0.5433000    
 C   -5.467900     -0.9920000     -3.9600000E-02
 C   -4.603400      -2.123000      0.5527000    
 C   -3.290000      -2.320800     -0.2060000    
 C   -2.552900     -0.9929000     -0.2616000    
 C   -3.277300      0.2271000     -0.2242000    
 C   -6.653800     -0.8016000      0.9327000    
 C   -6.008900      -1.381800      -1.427400    
 C   -5.366400       1.519800     -0.4231000    
 C   -2.515200      -3.467900      0.4592000    
 C   -2.520400       1.421900     -0.2639000    
 C   -1.149600     -0.9725000     -0.4055000    
 C   -1.128600       1.423900     -0.3761000    
 C   -5.501500       2.323000      0.8593000    
 C  -0.4431000      0.2248000     -0.4574000    
 C  -0.4047000       2.730100     -0.4145000    
 C    2.884900      0.1465000      0.4113000    
 C    3.577600      -1.059200      0.3309000    
 C    3.572800       1.356700      0.3616000    
 C    5.658200      0.1555000      0.1500000    
 C    4.966500      -1.054700      0.2001000    
 C    4.961400       1.361200      0.2308000    
 C    7.676600      0.1865000      -1.768100    
 H   -5.172800      -3.062300      0.5583000    
 H   -4.376000      -1.894700       1.605000    
 H   -3.501800      -2.623800      -1.238700    
 H   -6.309900     -0.4790000       1.921800    
 H   -7.378100     -6.4700000E-02  0.5715000    
 H   -7.201800      -1.742100       1.065700    
 H   -6.751600     -0.6627000      -1.789600    
 H   -5.213700      -1.420100      -2.179500    
 H   -6.495500      -2.363200      -1.399000    
 H   -6.369800       1.344200     -0.8288000    
 H   -4.883600       2.101200      -1.219100    
 H   -3.149200      -4.355500      0.5644000    
 H   -1.650000      -3.770400     -0.1394000    
 H   -2.157600      -3.186700       1.456100    
 H   -3.003300       2.393600     -0.2213000    
 H  -0.5907000      -1.901600     -0.4820000    
 H   -4.540400       2.544900       1.329100    
 H   -6.105500       1.804700       1.608800    
 H   0.1781000       2.868600      0.5019000    
 H   0.2665000       2.776100      -1.278800    
 H   -1.093000       3.577900     -0.5008000    
 H   -7.015200       3.364400      0.2058000    
 H    3.039100       2.301600      0.4228000    
 H    5.503800      -1.997400      0.1313000    
 H    5.478700       2.315400      0.1871000    
 H    7.225500       1.087900      -2.187000    
 H    8.755200      0.1961000      -1.939200    
 H    7.237300     -0.7096000      -2.210400    


%chk=000112579-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112579

0 1
Cl 3.049138 -3.049198 -0.040569
S 7.651649 0.106844 0.040403
O -6.391818 3.667733 0.454771
O 8.020048 1.560639 0.697202
O 8.219660 -1.304467 0.645817
N -4.787672 0.260996 -0.119085
N 0.864661 0.697443 -0.134048
N 1.559617 -0.426887 -0.079316
C -5.533363 -1.049626 -0.044888
C -4.621504 -2.109958 0.623537
C -3.240175 -2.246478 -0.045211
C -2.572043 -0.871497 -0.068994
C -3.389136 0.325638 -0.120475
C -6.800033 -0.904241 0.839307
C -5.943266 -1.490750 -1.479705
C -5.573011 1.481619 -0.397051
C -2.404738 -3.343695 0.651922
C -2.723695 1.596262 -0.179899
C -1.184711 -0.735258 -0.069660
C -1.326445 1.725504 -0.191126
C -5.842883 2.363898 0.851322
C -0.531031 0.533572 -0.130295
C -0.683028 3.096849 -0.254134
C 2.967831 -0.231979 -0.067806
C 3.796304 -1.393849 -0.045627
C 3.607977 1.046216 -0.052108
C 5.764688 -0.022706 -0.033263
C 5.200274 -1.307568 -0.022839
C 5.007138 1.163497 -0.031309
C 8.199903 0.178124 -1.795140
H -5.151327 -3.080460 0.594222
H -4.480577 -1.842564 1.690021
H -3.397436 -2.572672 -1.095993
H -6.534258 -0.557482 1.853529
H -7.547009 -0.212834 0.410833
H -7.286479 -1.891602 0.933461
H -6.627738 -0.758115 -1.944951
H -5.061688 -1.589774 -2.135440
H -6.465773 -2.464215 -1.447585
H -6.537737 1.189802 -0.850023
H -5.056963 2.105907 -1.149086
H -2.976912 -4.289270 0.687443
H -1.460639 -3.551136 0.119572
H -2.152813 -3.052483 1.688183
H -3.306934 2.519588 -0.208196
H -0.538182 -1.615952 -0.028199
H -4.899537 2.602402 1.366387
H -6.509497 1.843354 1.567029
H -0.032256 3.270134 0.620977
H -0.037392 3.191413 -1.145077
H -1.447355 3.892033 -0.287352
H -7.320708 3.554320 0.131200
H 2.959218 1.927200 -0.051155
H 5.832764 -2.199046 0.034580
H 5.506380 2.136872 0.018190
H 7.733098 1.069733 -2.235386
H 9.295362 0.257667 -1.757128
H 7.866849 -0.756798 -2.265990


