%chk=000040958.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040958

0 1
 Cl   4.375800      -2.860700      0.1803000    
 S   0.4211000      -1.263600       1.021700    
 O    2.311000       2.564000     -0.8543000    
 O   -2.150700       2.085100       1.556600    
 O    5.360400      0.5101000      7.6000001E-03
 O    4.387100      3.2699998E-02  -2.006100    
 N    2.271400      0.5146000      0.3114000    
 N  -0.6350000       1.408400     -6.2300000E-02
 N   -4.076700       2.392000     -0.3999000    
 C    1.251500      0.3141000       1.327000    
 C   0.5689000       1.573800      0.7510000    
 C    1.868200       1.739300     -8.9599997E-02
 C    3.244000     -0.3919000      3.4299999E-02
 C    1.954000      -2.241100       1.219300    
 C    3.141900      -1.666200      0.4708000    
 C   -1.916800       1.683000      0.4179000    
 C   -3.008200       1.411400     -0.6118000    
 C    4.372500      6.4099997E-02 -0.7926000    
 C   -3.505400     -1.5500000E-02 -0.5080000    
 C   -2.888100      -1.000900      -1.257600    
 C   -4.565300     -0.3008000      0.3343000    
 C   -3.345800      -2.315000      -1.162000    
 C   -5.022900      -1.615000      0.4300000    
 C   -4.413000      -2.622100     -0.3182000    
 H    1.634100      0.4444000       2.346400    
 H   0.4599000       2.381100       1.485900    
 H  -0.5495000       1.067200      -1.016800    
 H    1.723200      -3.248700      0.8573000    
 H    2.191500      -2.313600       2.286200    
 H   -2.610000       1.586400      -1.619400    
 H   -4.787000       2.282400      -1.123500    
 H   -3.702800       3.333200     -0.5190000    
 H   -2.056600     -0.7724000      -1.917700    
 H   -5.048700      0.4568000      0.9434000    
 H    6.136000      0.8252000     -0.5036000    
 H   -2.870500      -3.099300      -1.743800    
 H   -5.851100      -1.855400       1.090300    
 H   -4.768400      -3.645600     -0.2426000    


%chk=000040958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040958

0 1
Cl 4.533956 -2.922134 1.357239
S 0.354316 -1.222284 1.555974
O 1.843388 1.256752 -1.918021
O -1.735550 3.098931 0.848091
O 4.686265 1.012051 -0.712646
O 5.251193 -1.213453 -1.098251
N 2.290882 0.328220 0.303209
N -0.885549 1.158106 -0.110197
N -4.308520 2.319075 0.411539
C 1.204740 0.453080 1.294890
C 0.468525 1.431013 0.298694
C 1.609971 1.064667 -0.717907
C 3.321659 -0.636787 0.314061
C 1.991487 -2.089323 1.992897
C 3.176761 -1.736698 1.123568
C -1.914221 2.042745 0.171906
C -3.299986 1.702441 -0.450887
C 4.507374 -0.366622 -0.562298
C -3.524759 0.196994 -0.636600
C -3.230338 -0.427420 -1.875219
C -4.006420 -0.590983 0.438639
C -3.399167 -1.823225 -2.034336
C -4.175452 -1.983225 0.280473
C -3.868796 -2.605050 -0.954493
H 1.519033 0.857850 2.268176
H 0.509276 2.476554 0.651050
H -1.105942 0.286226 -0.600999
H 1.771840 -3.166312 1.893904
H 2.221277 -1.887716 3.054642
H -3.247129 2.157189 -1.474695
H -5.239115 2.397674 -0.001536
H -3.971276 3.166132 0.880492
H -2.885458 0.179399 -2.723163
H -4.258126 -0.084702 1.376484
H 5.418738 1.178073 -1.365073
H -3.172910 -2.294247 -2.997372
H -4.548025 -2.585841 1.116674
H -4.003942 -3.685650 -1.076009


