%chk=000003541.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003541

0 1
 Br   5.846600      -2.034100     -0.3293000    
 S   -3.939600     -0.6596000      0.4996000    
 O   -5.064500     -0.5003000     -0.4075000    
 O   -4.025900      -1.609300       1.596500    
 N   -3.512100      0.8700000       1.125100    
 N   -1.458200       3.541600     -0.4706000    
 N    1.212500      -2.050200       1.265000    
 C   -2.520300      -1.079600     -0.4470000    
 C   -3.213300       1.981600      0.2109000    
 C   -1.285100      -1.399900      0.1398000    
 C   -1.776400       2.435600      0.4235000    
 C  -0.1940000      -1.725400     -0.6922000    
 C   -2.669100      -1.082500      -1.835000    
 C  -0.3551000      -1.725000      -2.087700    
 C   -1.104200      -1.406300       1.527700    
 C   -1.589000      -1.404300      -2.653500    
 C  -9.4300002E-02   4.005900     -0.2581000    
 C    1.017700      -2.038300     -7.2899997E-02
 C   0.1460000      -1.733800       2.029900    
 C   0.9036000       2.912600     -0.5012000    
 C    1.748800       2.464700      0.4409000    
 C    2.732500       1.384800      0.2560000    
 C    3.128800       1.039100      -1.026300    
 C    3.243900      0.7341000       1.367600    
 C    4.060600      1.5900001E-02  -1.201400    
 C    4.175800     -0.2890000       1.192400    
 C    4.584100     -0.6480000     -9.2000000E-02
 H   -3.908100       2.797400      0.4423000    
 H   -3.387900       1.699100     -0.8323000    
 H   -3.264200      0.9812000       2.115200    
 H   -1.122700       1.576800      0.2430000    
 H   -1.641200       2.737600       1.470100    
 H   -3.610600     -0.8350000      -2.316000    
 H   -2.106900       4.311800     -0.3106000    
 H   0.4783000      -1.972600      -2.741000    
 H   -1.861000      -1.136600       2.250600    
 H   -1.706300      -1.404400      -3.733300    
 H   9.3000000E-03   4.432000      0.7474000    
 H   0.1113000       4.818900     -0.9638000    
 H    1.893700      -2.307000     -0.6562000    
 H   0.3294000      -1.740000       3.099500    
 H   0.8884000       2.485300      -1.499800    
 H    1.712100       2.904700       1.435100    
 H    2.764200       1.541400      -1.916600    
 H    2.933500       1.000300       2.374400    
 H    4.371300     -0.2497000      -2.208600    
 H    4.572700     -0.7974000       2.067300    


%chk=000003541-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003541

0 1
Br 5.790159 -1.918579 -2.159250
S -3.949435 -0.575098 -0.244917
O -4.464649 -0.128652 -1.730240
O -4.780901 -1.667015 0.630717
N -3.824519 0.891521 0.902827
N -1.485886 3.715814 -0.038746
N 0.397072 -2.480570 2.727724
C -2.124865 -1.047466 -0.445281
C -3.403527 2.162560 0.246931
C -1.359979 -1.535215 0.659689
C -1.963715 2.511497 0.669469
C 0.034523 -1.828368 0.383928
C -1.616727 -0.887277 -1.729221
C 0.567270 -1.649467 -0.932596
C -1.835959 -1.751825 1.993493
C -0.243677 -1.198271 -1.975109
C -0.061743 4.053215 0.207154
C 0.847781 -2.292180 1.474573
C -0.944144 -2.212758 2.964056
C 0.861185 3.062600 -0.470809
C 1.814611 2.339948 0.183308
C 2.750350 1.361982 -0.406064
C 2.924549 1.196407 -1.810339
C 3.520980 0.535639 0.459345
C 3.813904 0.234581 -2.330553
C 4.415522 -0.434329 -0.042590
C 4.548756 -0.578277 -1.438771
H -4.105506 2.965579 0.547365
H -3.466584 2.091292 -0.858375
H -4.755051 0.921332 1.357883
H -1.301164 1.668518 0.403218
H -1.927289 2.605250 1.782380
H -2.273685 -0.524215 -2.527278
H -2.100469 4.527205 0.109999
H 1.626281 -1.870390 -1.109102
H -2.884409 -1.572795 2.243478
H 0.163875 -1.069774 -2.982324
H 0.194080 4.107001 1.294441
H 0.113053 5.062031 -0.218704
H 1.908508 -2.511292 1.295113
H -1.278273 -2.390962 3.991120
H 0.688636 2.935421 -1.548886
H 1.898335 2.473080 1.272923
H 2.371502 1.832704 -2.509377
H 3.413579 0.645913 1.545169
H 3.943583 0.125832 -3.411437
H 4.999161 -1.058045 0.640570


