%chk=000106853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106853

0 1
 Br  -3.158500      -1.612200      -2.563500    
 Br  -3.388100       2.588000       1.348200    
 Br   5.074200      -3.149900      -1.482300    
 Br  0.8788000      -4.276900       2.276000    
 S    2.428200       2.368100      -1.608100    
 O    1.684300      0.9057000      -1.604000    
 O    1.509000       3.370500      -2.102600    
 O    3.777800       2.214400      -2.107100    
 O   -4.423900      0.5023000     -0.6906000    
 O    3.413800      -4.767000      0.5692000    
 C    1.254300      0.4324000     -0.2821000    
 C    1.868600       1.430500      0.7029000    
 C    2.506200       2.518900      0.1114000    
 C  -0.2781000      0.4512000     -0.3923000    
 C    1.837300     -0.9710000     -5.2299999E-02
 C    1.864600       1.356000       2.092700    
 C    3.135400       3.530300      0.8078000    
 C   -1.023600       1.343000      0.3801000    
 C  -0.9270000     -0.4235000      -1.265000    
 C    1.220300      -1.846400      0.8426000    
 C    2.984700      -1.372400     -0.7381000    
 C    2.487500       2.366700       2.836200    
 C    3.117700       3.446100       2.197200    
 C   -2.318300     -0.4066000      -1.365000    
 C   -2.414800       1.360100      0.2802000    
 C   -3.062100      0.4852000     -0.5924000    
 C    3.514000      -2.646100     -0.5294000    
 C    1.749300      -3.120200       1.051300    
 C    2.896200      -3.520000      0.3654000    
 C   -5.144800     -0.3559000      0.1890000    
 C   -6.633900     -0.2066000     -8.8900000E-02
 C   -7.470500      -1.089500      0.8326000    
 C   -8.958500     -0.9051000      0.5810000    
 H    1.380600      0.5347000       2.611300    
 H    3.626800       4.354200      0.3040000    
 H  -0.5535000       2.048100       1.056800    
 H  -0.3484000      -1.112700      -1.876100    
 H   0.3335000      -1.538300       1.391200    
 H    3.483800     -0.6991000      -1.429500    
 H    2.483500       2.314800       3.921800    
 H    3.597400       4.217700       2.793000    
 H   -4.931700     -9.0999998E-02   1.231000    
 H   -4.839900      -1.397500      3.5300002E-02
 H   -6.835300     -0.4539000      -1.138700    
 H   -6.919800      0.8460000      3.1500001E-02
 H   -7.252300     -0.8482000       1.879500    
 H   -7.206100      -2.142300      0.6803000    
 H    4.204600      -4.867300      1.1600000E-02
 H   -9.261000      0.1318000      0.7588000    
 H   -9.217100      -1.167000     -0.4500000    
 H   -9.538600      -1.547800       1.250500    


%chk=000106853-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106853

0 1
Br -3.234266 -2.191106 -2.057955
Br -3.541967 2.838502 0.855364
Br 5.423888 -2.822809 -1.687159
Br 1.400709 -4.374190 2.197597
S 2.819109 2.417973 -1.645365
O 1.537305 0.993505 -1.740588
O 2.226870 3.737855 -2.355228
O 4.268187 1.862603 -2.109496
O -4.555470 0.325222 -0.729109
O 3.936304 -4.589841 0.471655
C 1.217607 0.446548 -0.388996
C 1.806079 1.410792 0.668033
C 2.641605 2.438305 0.219717
C -0.315741 0.375965 -0.364508
C 1.916050 -0.923178 -0.220953
C 1.611890 1.296909 2.064745
C 3.291529 3.368781 1.043804
C -1.092929 1.423968 0.182904
C -0.964518 -0.691669 -1.033260
C 1.420748 -1.873447 0.705990
C 3.108681 -1.200480 -0.928509
C 2.240552 2.213972 2.934607
C 3.074652 3.245344 2.434729
C -2.366420 -0.716096 -1.119033
C -2.494777 1.377781 0.090197
C -3.174663 0.312453 -0.560467
C 3.773361 -2.414294 -0.700357
C 2.105789 -3.080530 0.924316
C 3.302571 -3.384684 0.225466
C -5.359234 -0.349958 0.342594
C -6.827048 -0.223112 -0.058866
C -7.767807 -0.895270 0.969443
C -9.254168 -0.763635 0.572966
H 0.974958 0.502984 2.467711
H 3.933463 4.153136 0.632311
H -0.614845 2.276752 0.671131
H -0.376801 -1.489974 -1.493651
H 0.490408 -1.687007 1.249960
H 3.504034 -0.483885 -1.653653
H 2.080909 2.123866 4.013856
H 3.554925 3.947555 3.123108
H -5.154026 0.155514 1.307362
H -5.042837 -1.410137 0.405657
H -6.965940 -0.682805 -1.055936
H -7.079983 0.849668 -0.158992
H -7.610827 -0.441118 1.969109
H -7.505064 -1.968364 1.066395
H 4.753544 -4.670919 -0.091846
H -9.552349 0.298935 0.501230
H -9.444769 -1.232907 -0.410179
H -9.912682 -1.251174 1.314551


