%chk=000023793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023793

0 1
 Br   2.831000      -3.527800      0.6280000    
 Cl  -4.710800      -2.552900     -0.7526000    
 S    1.941500       2.696300     -0.5074000    
 N   -2.081900      0.3329000      0.2649000    
 C   -1.274900      0.3674000     -0.9316000    
 C   6.2399998E-02  0.9687000     -0.7006000    
 C   -3.373500     -0.3211000      1.4400000E-02
 C   -2.305400       1.685700      0.7925000    
 C    1.223800      0.2200000     -0.3118000    
 C    2.337900       1.052700     -0.1686000    
 C   0.3142000       2.312900     -0.8397000    
 C   -3.151200      -1.759000     -0.4283000    
 C   -3.154700       1.650400       2.051700    
 C    1.387400      -1.165000     -6.7500003E-02
 C    3.595600      0.5420000      0.2082000    
 C    2.633600      -1.674800      0.3061000    
 C    3.724800     -0.8284000      0.4421000    
 H   -1.787100      0.9194000      -1.733200    
 H   -1.086100     -0.6274000      -1.343300    
 H   -3.954300      0.2290000     -0.7378000    
 H   -3.978100     -0.3780000      0.9250000    
 H   -1.360500       2.139400       1.105400    
 H   -2.772600       2.346000      5.1100001E-02
 H  -0.3764000       3.093500      -1.127900    
 H   -2.609400      -1.853400      -1.369400    
 H   -2.632100      -2.342500      0.3387000    
 H   -4.217000       1.496600       1.838200    
 H   -2.812800      0.8836000       2.755500    
 H   -3.082900       2.615600       2.566500    
 H   0.5364000      -1.834800     -0.1676000    
 H    4.455300       1.197300      0.3169000    
 H    4.697900      -1.217600      0.7327000    


%chk=000023793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023793

0 1
Br 1.850586 -3.104360 1.752216
Cl -4.668698 -2.754965 -0.884457
S 2.302490 2.707538 -1.236357
N -2.096781 0.398078 -0.052057
C -1.389397 0.823181 -1.290750
C 0.040370 1.271867 -1.060538
C -3.359950 -0.320026 -0.355228
C -2.221533 1.465626 0.976806
C 1.061143 0.484523 -0.372265
C 2.347755 1.110614 -0.376433
C 0.543382 2.457059 -1.555289
C -3.084062 -1.828966 -0.405929
C -2.441465 0.901731 2.392231
C 0.913749 -0.776639 0.269637
C 3.473523 0.512104 0.223487
C 2.042347 -1.361298 0.859728
C 3.319674 -0.743718 0.848268
H -1.941652 1.637632 -1.823205
H -1.382019 -0.047630 -1.976642
H -3.812020 0.011913 -1.316595
H -4.103982 -0.118981 0.434375
H -1.279507 2.042644 0.966202
H -3.040877 2.182192 0.719841
H 0.007434 3.229003 -2.107184
H -2.344277 -2.101178 -1.174089
H -2.787389 -2.224600 0.575871
H -3.382275 0.326540 2.471432
H -1.606508 0.235397 2.670865
H -2.494058 1.725938 3.127130
H -0.074217 -1.240073 0.315558
H 4.453384 0.999081 0.212390
H 4.174931 -1.233529 1.321582


