%chk=000163582.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163582

0 1
 Cl   2.268900       1.189100       2.367800    
 Cl   4.954500      -2.113400     -0.9228000    
 S   0.7090000       2.671800      -1.037700    
 N  -8.2199998E-02  0.6552000      0.5103000    
 N   -1.522800       2.538400      0.3004000    
 N   -4.017500      -1.259200     -0.4225000    
 C  -0.9846000     -2.8899999E-02   1.445200    
 C  -0.4319000       1.888200      4.5699999E-02
 C    1.130500      5.1000002E-03  0.1885000    
 C  -0.5750000       3.817700      -1.562800    
 C   -1.485900       3.862800     -0.3497000    
 C   -1.916600     -0.9458000      0.7027000    
 C    2.274100      0.1758000      0.9687000    
 C    1.169600     -0.8204000     -0.9350000    
 C   -1.564000      -2.261100      0.4663000    
 C   -3.134000     -0.4876000      0.2496000    
 C    3.456700     -0.4794000      0.6254000    
 C    2.352100      -1.475600      -1.278500    
 C    3.495700      -1.305100     -0.4981000    
 C   -2.446800      -3.086000     -0.2222000    
 C   -3.650000      -2.541600     -0.6414000    
 H   -1.561300      0.6875000       2.045200    
 H  -0.4135000     -0.6057000       2.186000    
 H   -1.096200       3.397200      -2.428400    
 H  -0.1758000       4.801000      -1.823300    
 H   -1.140300       4.607500      0.3782000    
 H   -2.498300       4.151600     -0.6515000    
 H   0.2918000     -0.9542000      -1.561800    
 H  -0.6176000      -2.664100      0.8143000    
 H   -3.463200      0.5322000      0.4155000    
 H    4.349800     -0.3476000       1.232600    
 H    2.368500      -2.113700      -2.158300    
 H   -2.201500      -4.122600     -0.4224000    
 H   -4.373400      -3.143300      -1.181700    


%chk=000163582-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163582

0 1
Cl 2.143102 0.459596 2.743508
Cl 4.840915 -2.378335 -1.169726
S 0.869665 2.910862 -1.046265
N -0.051559 0.782271 0.564897
N -1.594468 2.537743 0.093025
N -3.790266 -1.454540 -0.655612
C -1.021589 0.115911 1.491489
C -0.423621 1.976807 -0.036722
C 1.115398 0.057773 0.156437
C -0.530134 4.088049 -1.551380
C -1.646182 3.902048 -0.472967
C -1.872676 -0.937161 0.793885
C 2.185501 -0.203809 1.051631
C 1.222287 -0.450408 -1.164759
C -1.574887 -2.317898 0.898061
C -2.995487 -0.562408 0.006430
C 3.317840 -0.948312 0.667651
C 2.350878 -1.182126 -1.585488
C 3.380798 -1.425358 -0.655762
C -2.386578 -3.256546 0.221932
C -3.477070 -2.781062 -0.541000
H -1.654101 0.919281 1.903893
H -0.442233 -0.335962 2.315673
H -0.870395 3.795655 -2.557271
H -0.132465 5.114020 -1.567899
H -1.509607 4.636213 0.346704
H -2.639968 4.080387 -0.921140
H 0.399937 -0.261509 -1.860851
H -0.722183 -2.652962 1.501308
H -3.256228 0.497163 -0.096214
H 4.130317 -1.131442 1.374737
H 2.420860 -1.563106 -2.607585
H -2.184731 -4.330619 0.284803
H -4.132271 -3.474420 -1.081120


