%chk=000047901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047901

0 1
 Cl  -7.713300      0.6805000     -0.8255000    
 S    2.841400      0.6904000       1.023200    
 O   -1.757100      -2.165000     -0.1665000    
 N  -0.9506000     -8.4600002E-02  0.2138000    
 N    5.697800     -0.2080000     -0.7892000    
 N    5.699300       2.041300     -0.5275000    
 N    6.922300      0.3343000     -0.7311000    
 N    6.971300       1.664700     -0.5769000    
 C   0.3604000     -0.4661000      0.4289000    
 C   -1.023100       1.305400      0.3572000    
 C   0.2664000       1.769900      0.6515000    
 C    1.122400      0.6445000      0.6913000    
 C   0.8270000      -1.841200      0.3735000    
 C   -2.101100       2.204200      0.2419000    
 C   -2.015000     -0.9703000     -6.2199999E-02
 C   0.4810000       3.150700      0.8441000    
 C   -1.864200       3.568800      0.4369000    
 C  -0.5914000       4.038100      0.7351000    
 C   -3.420600     -0.5620000     -0.2501000    
 C   0.8216000      -2.614700       1.528200    
 C    1.274000      -2.367700     -0.8323000    
 C    3.499500      0.8894000     -0.6527000    
 C    1.270300      -3.934400       1.476100    
 C    1.722600      -3.687500     -0.8843000    
 C   -3.883300     -0.2379000      -1.522800    
 C   -4.278000     -0.5044000      0.8457000    
 C    1.720600      -4.470700      0.2700000    
 C    4.993200      0.9005000     -0.6571000    
 C   -5.212200      0.1465000      -1.701000    
 C   -5.607000     -0.1201000      0.6676000    
 C   -6.074200      0.2054000     -0.6059000    
 H   -3.110700       1.902200      1.0600000E-02
 H    1.470300       3.536600       1.075200    
 H   -2.689500       4.271300      0.3525000    
 H  -0.4271000       5.101900      0.8827000    
 H   0.4727000      -2.210200       2.474900    
 H    1.279000      -1.770000      -1.740300    
 H    3.129500       1.831200      -1.072900    
 H    3.134200      7.9000004E-02  -1.292100    
 H    1.268700      -4.544400       2.374600    
 H    2.072900      -4.105500      -1.823500    
 H   -3.219200     -0.2805000      -2.382000    
 H   -3.922800     -0.7557000       1.841500    
 H    2.069700      -5.498300      0.2294000    
 H   -5.562200      0.3978000      -2.698900    
 H   -6.267000     -7.8199998E-02   1.530300    
 H    7.762900     -0.2292000     -0.8004000    


%chk=000047901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047901

0 1
Cl -7.557125 0.783351 1.199808
S 2.856489 -0.193694 0.912619
O -2.053526 -1.851329 -1.843926
N -0.917551 -0.241351 -0.563041
N 6.216584 1.324130 0.408232
N 4.552706 2.908879 0.497255
N 6.634428 2.510823 0.946769
N 5.655741 3.495912 1.016375
C 0.302264 -0.892845 -0.167982
C -0.732404 1.172257 -0.469562
C 0.590122 1.404817 0.027281
C 1.204906 0.103323 0.224079
C 0.478509 -2.360603 -0.043062
C -1.581577 2.236057 -0.843950
C -2.111699 -0.891164 -1.030163
C 1.060461 2.730798 0.201580
C -1.097172 3.549534 -0.665758
C 0.203347 3.794870 -0.141865
C -3.414808 -0.405797 -0.478856
C 0.829236 -2.890428 1.230242
C 0.396213 -3.246678 -1.151455
C 3.958091 0.618903 -0.457958
C 1.080872 -4.269316 1.394923
C 0.653082 -4.623845 -0.984911
C -4.592575 -0.662278 -1.229536
C -3.519340 0.200943 0.801111
C 0.993537 -5.141867 0.286483
C 4.901993 1.600816 0.133245
C -5.856896 -0.297073 -0.728663
C -4.779930 0.558716 1.320722
C -5.929173 0.311249 0.542259
H -2.578683 2.066821 -1.258572
H 2.070871 2.922888 0.578091
H -1.736449 4.395007 -0.942610
H 0.546373 4.827416 -0.016418
H 0.892702 -2.217522 2.092477
H 0.129655 -2.854091 -2.134992
H 3.260040 1.105700 -1.153438
H 4.497810 -0.196529 -0.959377
H 1.344493 -4.658813 2.384312
H 0.587033 -5.292197 -1.850324
H -4.500892 -1.158312 -2.200972
H -2.620390 0.385058 1.396593
H 1.189158 -6.212853 0.411394
H -6.766393 -0.483698 -1.306138
H -4.868081 1.018320 2.308937
H 7.589343 2.663696 1.270241


