%chk=000118668.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118668

0 1
 Cl  -7.305100      -2.395100      0.5292000    
 S    2.239400       2.184800     -0.2566000    
 O   -1.208500       3.836900      0.1789000    
 N  -0.2410000       1.708800      0.2422000    
 N    1.178100     -0.2032000      0.1724000    
 C   -1.463000      0.9794000      0.5518000    
 C   -2.205200      0.5212000     -0.7012000    
 C   0.9590000       1.063200      8.6599998E-02
 C  -0.2383000       3.089500      9.1100000E-02
 C   -3.487100     -0.2119000     -0.3910000    
 C    1.142200       3.616300     -0.2051000    
 C    2.509000     -0.6097000     -3.0800000E-02
 C   -3.461000      -1.588200     -0.2274000    
 C   -4.668900      0.5037000     -0.2759000    
 C    4.697800      -1.097200      0.8501000    
 C    5.140800      -1.416300     -0.4334000    
 C    3.378200     -0.6927000       1.052200    
 C    2.944900     -0.9265000      -1.313300    
 C    4.264400      -1.331100      -1.515000    
 C   -4.646100      -2.266000      5.8300000E-02
 C   -5.854100     -0.1741000      9.8999999E-03
 C    5.618000      -1.181300       2.023600    
 C   -5.842800      -1.559000      0.1772000    
 C    6.549100      -1.851600     -0.6736000    
 H   -2.112200       1.630200       1.150300    
 H   -1.210700      0.1132000       1.175300    
 H   -2.426000       1.385300      -1.342100    
 H   -1.554500     -0.1218000      -1.308800    
 H    1.140900       4.126700      -1.171400    
 H    1.451400       4.301700      0.5878000    
 H   -2.533500      -2.146700     -0.3160000    
 H   -4.686900       1.582400     -0.4025000    
 H    3.024300     -0.4451000       2.050200    
 H    2.268200     -0.8656000      -2.161400    
 H    4.592900      -1.576500      -2.521500    
 H   -4.622200      -3.345100      0.1863000    
 H   -6.779000      0.3899000      9.9900000E-02
 H    5.984100      -2.204800       2.154100    
 H    6.468300     -0.5034000       1.896200    
 H    5.115400     -0.8970000       2.954700    
 H    6.769700      -2.768600     -0.1176000    
 H    6.733000      -2.064200      -1.732600    
 H    7.251700      -1.066600     -0.3755000    


%chk=000118668-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118668

0 1
Cl -6.393823 -3.060698 1.592337
S 2.089609 3.247367 -0.980047
O -1.758313 4.143852 -0.360747
N -0.304066 2.311337 -0.142600
N 1.359442 0.645259 -0.001773
C -1.358640 1.404817 0.361751
C -2.008969 0.574242 -0.778823
C 1.022889 1.847605 -0.315800
C -0.607978 3.639899 -0.464107
C -3.096307 -0.333463 -0.226974
C 0.615347 4.421922 -0.938076
C 2.617967 0.013398 -0.143528
C -2.792414 -1.650551 0.203324
C -4.428513 0.133537 -0.086096
C 4.142084 -1.727238 0.737419
C 5.087778 -1.423526 -0.292174
C 2.924651 -1.015212 0.787233
C 3.552018 0.302286 -1.175082
C 4.763577 -0.417017 -1.234544
C -3.786633 -2.488004 0.757768
C -5.437964 -0.686947 0.465449
C 4.433439 -2.807864 1.763395
C -5.097224 -1.988534 0.880188
C 6.406585 -2.168540 -0.383947
H -2.119021 2.037257 0.851243
H -0.895735 0.731715 1.101441
H -2.429822 1.272042 -1.525738
H -1.219276 -0.021843 -1.270494
H 0.435271 4.826316 -1.945845
H 0.816604 5.250485 -0.241017
H -1.769266 -2.031020 0.099081
H -4.685171 1.147584 -0.415278
H 2.184789 -1.241043 1.562960
H 3.326766 1.054096 -1.939043
H 5.476067 -0.192222 -2.037275
H -3.548357 -3.504904 1.082955
H -6.464588 -0.323668 0.567296
H 4.601714 -3.790595 1.282186
H 5.347229 -2.579666 2.345450
H 3.599047 -2.919080 2.475961
H 6.253399 -3.257238 -0.516641
H 7.011509 -1.807845 -1.232987
H 7.008998 -2.044398 0.536798


