%chk=000063316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063316

0 1
 Br   2.181400      -3.977700     -0.2434000    
 Br   6.552900     -0.4271000      0.3432000    
 S   -2.179700      -1.994000      0.1127000    
 O   -2.199700      -1.557500       1.503500    
 O   -1.425700      -3.182700     -0.2662000    
 O    2.002600       2.473600     -0.1451000    
 O   -1.043400       1.928400       1.924300    
 N   0.1817000       1.010500     -0.4493000    
 N   0.5828000      -1.334700     -0.4628000    
 C   -1.663600     -0.6556000     -0.8907000    
 C   -3.871000      -2.265800     -0.3775000    
 C  -0.2218000     -0.3218000     -0.5664000    
 C   -4.509200      -3.382100      0.4324000    
 C    1.542400       1.341900     -0.2768000    
 C  -0.7595000       2.096600     -0.4524000    
 C    2.469500      0.1943000     -0.1871000    
 C    1.945700      -1.096500     -0.2594000    
 C   -5.945600      -3.629400      2.7000001E-03
 C   -1.343300       2.522800      0.7349000    
 C    3.842700      0.3991000     -7.1999999E-03
 C   -1.073900       2.712200      -1.658500    
 C    2.815400      -2.187700     -0.1499000    
 C    4.698000     -0.6966000      0.1000000    
 C    4.185000      -1.989500      2.9999999E-02
 C   -2.254300       3.578900      0.7158000    
 C   -1.984800       3.768400      -1.677600    
 C   -2.574900       4.201600     -0.4904000    
 C   5.0400000E-02   2.470300       2.661100    
 H   -1.724000     -0.9703000      -1.936700    
 H   -2.353200      0.1699000     -0.7204000    
 H   -3.864400      -2.509000      -1.444800    
 H   -4.407600      -1.323300     -0.2296000    
 H   -3.934900      -4.308500      0.3161000    
 H   -4.490800      -3.132500       1.499600    
 H   -6.386200      -4.435400      0.5978000    
 H   -6.556500      -2.731700      0.1416000    
 H   -5.995300      -3.919500      -1.051700    
 H    4.247100       1.406600      5.2099999E-02
 H  -0.6195000       2.381400      -2.588600    
 H    4.854300      -2.843100      0.1141000    
 H   -2.718500       3.921600       1.636600    
 H   -2.234600       4.253200      -2.616800    
 H   -3.284400       5.023900     -0.5053000    
 H  -0.2353000       2.515200       3.715800    
 H   0.3214000       3.478200       2.328100    
 H   0.9136000       1.806400       2.564100    


%chk=000063316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063316

0 1
Br 3.317813 -3.514405 -1.687621
Br 6.561516 0.106145 1.439654
S -1.982872 -2.234523 -0.391660
O -1.058510 -2.290909 0.961482
O -2.265430 -3.592465 -1.252488
O 1.492205 2.348082 0.786539
O -2.140824 1.060566 1.439678
N 0.223344 0.816313 -0.464144
N 1.159396 -1.276442 -1.231731
C -1.150350 -0.877717 -1.700620
C -3.714553 -1.496359 0.111086
C 0.140852 -0.430955 -1.132477
C -4.474746 -2.544727 0.925802
C 1.433089 1.236488 0.189345
C -0.844895 1.804103 -0.583323
C 2.552512 0.277190 0.088180
C 2.372312 -0.948349 -0.635949
C -5.866827 -1.999681 1.328548
C -1.929940 1.892272 0.334015
C 3.784359 0.602083 0.705612
C -0.779710 2.694596 -1.682065
C 3.489469 -1.838013 -0.723110
C 4.846192 -0.304138 0.596746
C 4.714798 -1.526184 -0.113105
C -2.955455 2.842870 0.092029
C -1.795119 3.643584 -1.908288
C -2.894070 3.706698 -1.017401
C -0.998666 0.669310 2.315415
H -1.020429 -1.537263 -2.568044
H -1.923576 -0.109352 -1.823590
H -4.192212 -1.267866 -0.857505
H -3.445306 -0.586024 0.673090
H -4.586529 -3.470016 0.331128
H -3.893892 -2.801474 1.831033
H -6.409504 -2.754613 1.924558
H -5.780280 -1.082385 1.939003
H -6.481731 -1.765110 0.440136
H 3.869490 1.548209 1.246642
H 0.079539 2.626317 -2.358462
H 5.556487 -2.219298 -0.183627
H -3.781512 2.890240 0.808254
H -1.730246 4.323337 -2.763214
H -3.692908 4.438430 -1.177973
H -1.444125 0.557980 3.316039
H -0.235552 1.464986 2.326766
H -0.592306 -0.298534 1.977519


