%chk=000077526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077526

0 1
 Cl  -5.058500      -1.062800     -0.6607000    
 S  -0.1951000       2.330000       1.460400    
 O   -2.276400      -1.434300      -1.501800    
 N   3.8899999E-02 -2.4300000E-02 -0.5561000    
 N    2.416300      -2.338600      0.6959000    
 C   0.2704000      -1.346300      -1.152800    
 C   7.3500000E-02  -2.441300     -0.1028000    
 C   -1.271400      0.2650000     -9.8099999E-02
 C    1.125600      0.8863000     -0.5456000    
 C    1.014800      -2.296000       1.095100    
 C   -1.509300       1.324300      0.8000000    
 C    1.125200       2.007300      0.3081000    
 C   -2.396800     -0.4631000     -0.5425000    
 C    2.234500      0.7374000      -1.407000    
 C   -2.811800       1.612000       1.245000    
 C    2.201800       2.911900      0.3087000    
 C   -3.689800     -0.1698000     -0.1008000    
 C    2.732400      -3.618300      5.9099998E-02
 C    3.288400      -2.117400       1.850800    
 C    3.299600       1.642300      -1.406000    
 C   -3.897100      0.8669000      0.7963000    
 C    3.284700       2.729000     -0.5451000    
 H  -0.2723000      -1.500300      -2.088700    
 H    1.296600      -1.496600      -1.490600    
 H  -0.9441000      -2.456900      0.2991000    
 H   0.1850000      -3.421200     -0.5808000    
 H   0.7921000      -3.096500       1.813800    
 H   0.7997000      -1.354800       1.615200    
 H    2.296600     -4.2199999E-02  -2.159300    
 H   -2.994600       2.422800       1.947400    
 H    2.207400       3.771900      0.9754000    
 H    2.448700      -4.475600      0.6806000    
 H    3.809900      -3.689700     -0.1336000    
 H    2.262400      -3.718500     -0.9236000    
 H    3.167000      -2.892900       2.615800    
 H    3.080000      -1.143900       2.308600    
 H    4.339400      -2.097300       1.541800    
 H    4.131400       1.501700      -2.090200    
 H   -4.893900       1.112300       1.152700    
 H    4.108800       3.435700     -0.5412000    
 H   -3.154900      -1.808600      -1.686100    


%chk=000077526-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077526

0 1
Cl -5.085974 -0.640143 -0.983159
S 0.220471 1.670771 1.855832
O -2.233331 -1.008121 -1.919822
N 0.150595 -0.089487 -0.622421
N 2.362277 -2.652698 0.890988
C 0.479914 -1.434547 -1.178424
C 0.096564 -2.576937 -0.213671
C -1.141104 0.210350 -0.112030
C 1.122947 0.953761 -0.701802
C 0.898666 -2.537179 1.105641
C -1.295404 1.059889 1.020057
C 1.241848 1.909200 0.343242
C -2.336752 -0.265766 -0.738934
C 1.988056 1.074785 -1.821506
C -2.558031 1.403657 1.543745
C 2.172561 2.963473 0.273974
C -3.589263 0.042725 -0.156598
C 2.794914 -4.024327 0.560741
C 3.148330 -2.076706 2.001136
C 2.951810 2.104509 -1.875605
C -3.730873 0.866196 0.969421
C 3.045590 3.056941 -0.835262
H -0.003328 -1.590369 -2.158421
H 1.576920 -1.461761 -1.293672
H -0.984328 -2.544795 0.019552
H 0.267346 -3.533129 -0.746258
H 0.517936 -3.337291 1.791769
H 0.706411 -1.568190 1.603366
H 1.895960 0.366709 -2.650610
H -2.625740 2.071722 2.406978
H 2.227436 3.692085 1.089851
H 2.612566 -4.753459 1.392287
H 3.876361 -4.028043 0.334027
H 2.262875 -4.391813 -0.334119
H 3.015766 -2.620974 2.971148
H 2.853028 -1.023932 2.154695
H 4.223445 -2.098038 1.745195
H 3.617890 2.172301 -2.742736
H -4.718783 1.088515 1.379563
H 3.784178 3.863578 -0.883331
H -3.144650 -1.263860 -2.228429


