%chk=000172286.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172286

0 1
 Cl   4.980500      -2.822600      -1.065400    
 S   0.4435000       3.619700     -0.3998000    
 N   -1.777100     -0.5912000      0.4609000    
 N   -4.535100      -1.217800      0.1393000    
 N   0.5182000     -0.9749000      0.5239000    
 C   -2.188700      -1.980100      0.2767000    
 C   -2.792200      0.2906000       1.030500    
 C   -3.501200      -2.040000     -0.5063000    
 C   -4.091700      0.1810000      0.2311000    
 C  -0.4960000     -0.1934000      0.2880000    
 C  -0.4060000       1.191700     -0.1671000    
 C   -5.796700      -1.309800     -0.5942000    
 C   0.5882000       2.052700      0.2624000    
 C    1.704400       1.708900       1.193400    
 C    2.498200      0.5529000      0.6402000    
 C    1.876500     -0.6685000      0.3090000    
 C   -1.305700       1.868900      -1.058300    
 C  -0.9572000       3.183600      -1.271700    
 C    3.879900      0.7109000      0.4338000    
 C    2.671500      -1.702600     -0.2132000    
 C    4.645700     -0.3261000     -9.4300002E-02
 C    4.041000      -1.533800     -0.4188000    
 H   -2.304500      -2.457100       1.257700    
 H   -1.429800      -2.549000     -0.2739000    
 H   -2.502600       1.339900       1.135700    
 H   -2.981700     -4.3499999E-02   2.060300    
 H   -3.329100      -1.703400      -1.537600    
 H   -3.828500      -3.085700     -0.5521000    
 H   -4.857300      0.7738000      0.7469000    
 H   -3.975000      0.6093000     -0.7699000    
 H   -6.148100      -2.347100     -0.6252000    
 H   -5.706100     -0.9456000      -1.624000    
 H   -6.577400     -0.7291000     -9.0499997E-02
 H    1.301800       1.428800       2.175200    
 H    2.354400       2.575400       1.366200    
 H   -2.142700       1.410800      -1.565300    
 H   -1.455700       3.902800      -1.906200    
 H    4.368800       1.650300      0.6810000    
 H    2.205100      -2.656100     -0.4588000    
 H    5.711400     -0.1760000     -0.2452000    


%chk=000172286-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172286

0 1
Cl 4.861705 -2.847110 -1.492377
S 0.837582 3.847337 -0.205783
N -1.868897 -0.406930 0.332001
N -4.583521 -1.341678 0.170128
N 0.421503 -0.859508 0.313598
C -2.162220 -1.850346 0.458022
C -2.988041 0.449219 0.782148
C -3.458346 -2.184368 -0.302276
C -4.271738 0.096169 0.009707
C -0.550864 0.039378 0.218479
C -0.337074 1.476820 -0.108572
C -5.871036 -1.715789 -0.444668
C 0.720151 2.180433 0.464849
C 1.725297 1.593249 1.423672
C 2.506354 0.506576 0.690636
C 1.798728 -0.627102 0.161393
C -1.071992 2.251363 -1.092740
C -0.579483 3.529028 -1.269558
C 3.906024 0.596582 0.522826
C 2.546884 -1.653434 -0.490606
C 4.643492 -0.408323 -0.142144
C 3.933261 -1.521124 -0.635840
H -2.279390 -2.120514 1.528135
H -1.301517 -2.408777 0.059063
H -2.734037 1.510939 0.645806
H -3.168122 0.270996 1.864064
H -3.278150 -2.051818 -1.400568
H -3.714894 -3.245821 -0.127457
H -5.113904 0.689688 0.412239
H -4.137946 0.376836 -1.068950
H -6.089136 -2.777537 -0.231585
H -5.891042 -1.575051 -1.555130
H -6.682862 -1.106764 -0.007827
H 1.185378 1.154246 2.287871
H 2.407455 2.363913 1.819724
H -1.909805 1.847823 -1.667038
H -0.923814 4.313997 -1.939830
H 4.437401 1.468038 0.923677
H 2.012164 -2.527694 -0.869718
H 5.727455 -0.334343 -0.260970


