%chk=000063328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063328

0 1
 Cl -0.3603000       5.228000      -2.019500    
 S    1.611800     -9.6400000E-02  -1.223800    
 O   -3.017000      0.9605000      0.6442000    
 N  -0.8483000      0.4790000     -0.1338000    
 N    4.867800      -1.869300      0.4011000    
 N  -0.3111000      -1.770700     -0.7343000    
 C  -0.4230000       1.834300      8.2500003E-02
 C   1.2200000E-02 -0.5214000     -0.6193000    
 C   -2.564100      -1.249600      6.3800000E-02
 C   -2.182400      0.1724000      0.2054000    
 C    4.080100      -1.000200     -0.4679000    
 C    2.597500      -1.163900     -0.1569000    
 C   0.1331000       2.212100       1.298300    
 C   -1.605100      -2.163400     -0.3761000    
 C  -0.5787000       2.756500     -0.9454000    
 C   -3.857900      -1.673900      0.3893000    
 C   0.5397000       3.532600       1.489600    
 C   -1.956800      -3.513800     -0.4874000    
 C   0.3087000       1.234800       2.415000    
 C  -0.1722000       4.077000     -0.7540000    
 C   0.3872000       4.465000      0.4634000    
 C   -4.194800      -3.021800      0.2735000    
 C    6.297400      -1.697600      0.1398000    
 C    4.480900      -3.268300      0.2159000    
 C   -3.244800      -3.941900     -0.1634000    
 H    4.278200      -1.222600      -1.525400    
 H    4.370600      4.3800000E-02 -0.2913000    
 H    2.395100     -0.9250000      0.8917000    
 H    2.257700      -2.183900     -0.3506000    
 H   -1.016100       2.450000      -1.892900    
 H   -4.612900     -0.9737000      0.7359000    
 H   0.9775000       3.852100       2.431500    
 H   -1.226700      -4.242500     -0.8321000    
 H   0.7475000       1.706700       3.301100    
 H  -0.6576000      0.8191000       2.718400    
 H   0.9756000      0.4210000       2.121100    
 H   0.7086000       5.490500      0.6266000    
 H   -5.197400      -3.354500      0.5254000    
 H    6.596600     -0.6561000      0.3032000    
 H    6.567400      -1.977800     -0.8849000    
 H    6.891800      -2.304500      0.8320000    
 H    3.510200      -3.488800      0.6703000    
 H    4.466600      -3.565500     -0.8391000    
 H    5.186000      -3.929800      0.7346000    
 H   -3.506600      -4.992000     -0.2540000    


%chk=000063328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063328

0 1
Cl 0.867464 5.112164 -2.119713
S 2.157425 0.621255 0.867188
O -2.834690 0.979959 -0.034485
N -0.529691 0.682076 0.314268
N 4.621013 -2.563433 -0.267711
N 0.484339 -1.502569 0.379583
C -0.360981 2.127628 0.409409
C 0.563293 -0.191403 0.474597
C -1.943495 -1.286418 -0.059833
C -1.862480 0.180397 0.062444
C 3.788494 -1.345935 -0.402147
C 3.268527 -0.912872 0.981072
C -0.677223 2.798918 1.620125
C -0.764146 -2.082890 0.102317
C 0.101037 2.815076 -0.733393
C -3.191250 -1.904463 -0.333853
C -0.495557 4.203523 1.647414
C -0.860270 -3.496973 -0.017801
C -1.201792 2.046751 2.824391
C 0.265871 4.207837 -0.655355
C -0.025044 4.918701 0.523485
C -3.272389 -3.301655 -0.450319
C 5.700650 -2.658220 -1.270021
C 3.826563 -3.806212 -0.184371
C -2.101142 -4.095937 -0.291004
H 2.922783 -1.494701 -1.090128
H 4.411152 -0.535940 -0.823747
H 4.094493 -0.616081 1.647291
H 2.659764 -1.697634 1.454804
H 0.321018 2.267850 -1.653674
H -4.071462 -1.263736 -0.450162
H -0.729580 4.752461 2.566127
H 0.049955 -4.091186 0.108443
H -1.295205 2.713524 3.697471
H -2.199532 1.621278 2.609724
H -0.536037 1.209102 3.102385
H 0.108681 6.003402 0.564915
H -4.233119 -3.781566 -0.663255
H 6.323699 -1.747018 -1.238324
H 5.328781 -2.789709 -2.317685
H 6.349374 -3.520832 -1.031846
H 3.057283 -3.716558 0.601158
H 3.306679 -4.053941 -1.144493
H 4.487410 -4.651808 0.078472
H -2.168661 -5.185709 -0.382260


