%chk=000045748.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045748

0 1
 Cl  -5.427400      -1.077000       1.470800    
 S   -4.693200       1.199700     -0.7077000    
 O   0.3959000     -3.8999999E-03  -1.589800    
 O   -4.225300       1.666400      -2.003100    
 O   -5.998300      0.5690000     -0.5891000    
 N    2.481500     -0.7761000      7.2899997E-02
 N    1.178900     -0.9041000      0.4041000    
 N   -4.596600       2.484000      0.4132000    
 C    3.249400      0.3410000      0.3131000    
 C    4.529800      7.2200000E-02 -0.1755000    
 C    3.230000      -1.739100     -0.5487000    
 C    4.502600      -1.243800     -0.7164000    
 C    2.912100       1.556400      0.9192000    
 C    5.523800       1.063500     -5.4400001E-02
 C    2.671500      -3.052900     -0.9333000    
 C   -1.215800     -0.6203000     -1.9000000E-03
 C   0.1849000     -0.4834000     -0.4785000    
 C   -3.491600      0.1041000     -5.5199999E-02
 C    3.914400       2.524600       1.028100    
 C    5.200900       2.284100      0.5496000    
 C   -2.176700      0.2331000     -0.5029000    
 C   -1.510100      -1.596600      0.9271000    
 C   -3.815700     -0.8754000      0.8836000    
 C   -2.825000      -1.725600       1.375000    
 H    5.327900      -1.769000      -1.178400    
 H    1.002200      -1.245100       1.342800    
 H    1.912400       1.749700       1.293900    
 H    6.530600      0.8893000     -0.4230000    
 H    1.880700      -2.935800      -1.681200    
 H    3.444800      -3.697300      -1.364400    
 H    2.254600      -3.571000     -6.3400000E-02
 H    3.685500       3.479800       1.493800    
 H   -1.909700       1.001500      -1.222400    
 H    5.963500       3.052300      0.6457000    
 H  -0.7737000      -2.296000       1.308900    
 H   -3.062000      -2.498300       2.102000    
 H   -4.172500       3.364100      9.5399998E-02
 H   -5.383300       2.612200       1.061300    


%chk=000045748-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045748

0 1
Cl -5.521519 -0.856925 1.759422
S -4.808356 1.138108 -0.909885
O 0.410081 -0.148963 -1.661022
O -3.969304 2.031963 -1.977257
O -6.060559 0.215986 -1.367746
N 2.572032 -0.710857 0.059099
N 1.235953 -0.776836 0.435944
N -5.317972 2.300885 0.410372
C 3.433949 0.366452 0.349298
C 4.715388 0.020297 -0.201071
C 3.264182 -1.708020 -0.682023
C 4.576397 -1.274540 -0.842395
C 3.193213 1.569049 1.040813
C 5.791397 0.930748 -0.038406
C 2.561128 -2.937408 -1.170035
C -1.186753 -0.605551 0.116357
C 0.199683 -0.482423 -0.465004
C -3.516912 0.073785 0.005789
C 4.282602 2.455508 1.186142
C 5.566128 2.137972 0.654445
C -2.211406 0.161888 -0.490857
C -1.514031 -1.467196 1.194570
C -3.844027 -0.760692 1.088657
C -2.835149 -1.545567 1.683149
H 5.352616 -1.822231 -1.374476
H 1.045371 -0.923164 1.431064
H 2.202011 1.821724 1.432349
H 6.780905 0.700525 -0.448505
H 1.780570 -2.682361 -1.911485
H 3.284160 -3.612315 -1.654937
H 2.073239 -3.493603 -0.346798
H 4.136390 3.406464 1.710125
H -1.985742 0.812754 -1.344197
H 6.388104 2.850632 0.784301
H -0.755833 -2.118444 1.643076
H -3.087623 -2.211518 2.513062
H -5.288050 3.257386 0.020342
H -6.241262 2.022788 0.778923


