%chk=000128349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128349

0 1
 Cl   2.624200      -1.490600      -2.493900    
 S   0.2056000       2.295400      0.4130000    
 O   -7.284600     -0.1019000      -1.717700    
 O   -4.432700      0.7338000       2.235600    
 N   -5.202700     -2.1199999E-02  0.1794000    
 N    2.778700       2.339500     -0.2685000    
 N    4.170400     -0.3035000      0.5014000    
 N    4.842900       2.952700     -0.7546000    
 N    3.981700       3.853800      -1.330200    
 C   -6.601500     -6.4000003E-02  0.6054000    
 C   -4.966100     -0.5558000      -1.165800    
 C   -2.800900      0.4088000      0.5469000    
 C   -1.833600      0.8761000       1.625000    
 C   -4.214500      0.3900000       1.071100    
 C  -0.4186000      0.8945000       1.161000    
 C   -7.499700      0.5461000     -0.4612000    
 C   -5.935800      7.0600003E-02  -2.160000    
 C    1.793400      0.2616000      0.6546000    
 C    1.734700       1.582300      0.2487000    
 C   0.5213000     -0.1110000       1.223800    
 C    2.930500     -0.6481000      0.4616000    
 C    4.120500       2.072500     -9.4700001E-02
 C    4.606800       1.038000      0.8484000    
 C    2.631300      -2.075400      0.1711000    
 C    2.760100       3.497800      -1.005600    
 C    2.478300      -2.542200      -1.131700    
 C    2.507400      -2.947400       1.250000    
 C    2.199700      -3.890300      -1.357400    
 C    2.228600      -4.295400       1.024000    
 C    2.074700      -4.766700     -0.2796000    
 H   -6.739100      0.4508000       1.560900    
 H   -6.850000      -1.122000      0.7498000    
 H   -5.139700      -1.636400      -1.101000    
 H   -3.939800     -0.4009000      -1.501500    
 H   -2.753700       1.082000     -0.3170000    
 H   -2.528500     -0.6017000      0.2205000    
 H   -2.122700       1.871700       1.987900    
 H   -1.905000      0.2125000       2.497700    
 H   -8.551200      0.4124000     -0.1892000    
 H   -7.315300       1.621200     -0.5727000    
 H   -5.733800       1.139900      -2.294400    
 H   -5.837800     -0.4141000      -3.136400    
 H   0.2947000      -1.086500       1.635400    
 H    5.702900       1.046900      0.8450000    
 H    4.308800       1.283700       1.875200    
 H    1.857300       4.013900      -1.301400    
 H    2.627400      -2.593400       2.270700    
 H    2.076700      -4.273800      -2.367300    
 H    2.131800      -4.978000       1.863200    
 H    1.857700      -5.816200     -0.4553000    


%chk=000128349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128349

0 1
Cl 1.043103 -1.638806 -1.825528
S 0.069392 2.250344 0.447077
O -7.445910 0.502233 -1.884573
O -4.645987 0.364482 2.176825
N -5.318297 -0.016504 -0.015136
N 2.738998 2.259136 -0.403926
N 4.253350 -0.252474 0.672715
N 4.848054 2.953692 -0.821883
N 3.949285 3.666424 -1.684411
C -6.731963 -0.194574 0.393126
C -5.091669 -0.179334 -1.466922
C -2.892939 0.377657 0.459431
C -1.925407 0.553644 1.658212
C -4.346689 0.242984 0.945433
C -0.494389 0.693688 1.219790
C -7.637528 0.731412 -0.438265
C -6.045661 0.747896 -2.253686
C 1.789561 0.221940 0.682217
C 1.704956 1.530288 0.202503
C 0.535616 -0.224231 1.255381
C 2.999253 -0.641467 0.562205
C 4.104679 2.126876 -0.065325
C 4.540649 1.177112 1.007688
C 2.790204 -2.116803 0.358534
C 2.707066 3.230813 -1.412024
C 1.937629 -2.688101 -0.618826
C 3.519734 -3.015932 1.185139
C 1.785715 -4.080931 -0.764689
C 3.379899 -4.412261 1.060892
C 2.504187 -4.947728 0.088328
H -6.802390 0.029969 1.470461
H -7.027413 -1.249717 0.225288
H -5.296166 -1.231514 -1.753061
H -4.047582 0.052217 -1.728911
H -2.804461 1.246059 -0.223694
H -2.593861 -0.513043 -0.126187
H -2.258149 1.414233 2.265523
H -2.008689 -0.327492 2.318897
H -8.701925 0.519493 -0.247906
H -7.420496 1.793659 -0.195298
H -5.782561 1.810916 -2.058736
H -5.984516 0.545558 -3.335659
H 0.409343 -1.223740 1.678960
H 5.627431 1.285302 1.138152
H 4.036099 1.450052 1.961270
H 1.797380 3.558393 -1.907985
H 4.206086 -2.581699 1.918458
H 1.129087 -4.478206 -1.543900
H 3.951774 -5.078845 1.714316
H 2.386915 -6.031066 -0.020094


