%chk=000063183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063183

0 1
 Br   2.576400       3.788600     -9.8600000E-02
 Br   6.665100     -0.1190000      0.1748000    
 S   -1.915300       2.142600      0.3423000    
 O   -1.081200       3.283300     -1.5799999E-02
 O   -1.922400       1.648400       1.713700    
 O    1.881100      -2.626500     -0.2556000    
 O   -1.040900      -1.931500       1.946000    
 N   0.1749000      -1.011900     -0.4317000    
 N   0.7632000       1.292400     -0.3644000    
 C   -3.595000       2.568900     -7.1699999E-02
 C   -1.544100      0.8129000     -0.7340000    
 C   -4.489800       1.350700      0.1730000    
 C   -4.042300       3.735600      0.8135000    
 C   -3.653300       2.976200      -1.546700    
 C  -0.1235000      0.3519000     -0.4788000    
 C    1.509600      -1.457200     -0.3243000    
 C  -0.8502000      -2.019200     -0.4442000    
 C    2.528900     -0.3916000     -0.2236000    
 C    2.108700      0.9384000     -0.2233000    
 C   -1.427300      -2.448200      0.7453000    
 C    3.886500     -0.7120000     -0.1051000    
 C    3.066800       1.951700     -0.1028000    
 C   -1.254200      -2.554200      -1.662100    
 C    4.830700      0.3068000      1.3500000E-02
 C    4.421600       1.638200      1.5900001E-02
 C   -2.421700      -3.425800      0.7167000    
 C   -2.248800      -3.531700      -1.690600    
 C   -2.832500      -3.967500     -0.5012000    
 C   2.9100001E-02  -2.590400       2.620000    
 H   -2.265700      1.7600000E-02 -0.5775000    
 H   -1.587600       1.159200      -1.768600    
 H   -4.300200      0.5367000     -0.5324000    
 H   -5.545200       1.622500      4.9100000E-02
 H   -4.377200      0.9514000       1.186500    
 H   -3.407100       4.616600      0.6678000    
 H   -3.998000       3.472900       1.876300    
 H   -5.073400       4.030200      0.5880000    
 H   -2.947300       3.780300      -1.780400    
 H   -4.655200       3.341100      -1.802900    
 H   -3.446700       2.141400      -2.222700    
 H    4.210100      -1.750000     -0.1023000    
 H  -0.8060000      -2.220400      -2.594100    
 H    5.160100       2.431600      0.1090000    
 H   -2.881500      -3.769600       1.639300    
 H   -2.569000      -3.953200      -2.639000    
 H   -3.607000      -4.728500     -0.5233000    
 H   0.9411000      -1.996900       2.513800    
 H   0.2022000      -3.603400       2.240700    
 H  -0.2218000      -2.652700       3.682600    


%chk=000063183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063183

0 1
Br 3.453626 3.416309 -1.430019
Br 6.765243 -0.626996 1.041629
S -1.786137 2.262387 0.037790
O -1.517476 3.765656 -0.540191
O -1.108216 1.809204 1.458803
O 1.567524 -2.597450 0.584630
O -1.817425 -1.643509 1.841849
N 0.263231 -0.888559 -0.366234
N 1.240623 1.221884 -1.029363
C -3.842351 2.075239 0.220301
C -1.111211 0.950299 -1.385654
C -4.109590 0.610818 0.556152
C -4.121707 3.036868 1.381809
C -4.381217 2.560597 -1.125575
C 0.193050 0.412974 -0.923056
C 1.505838 -1.423649 0.122084
C -0.852503 -1.823184 -0.500615
C 2.656936 -0.502517 0.024419
C 2.477701 0.794782 -0.560425
C -1.768734 -2.142478 0.544627
C 3.918122 -0.936805 0.499323
C 3.624651 1.645742 -0.651520
C -0.993294 -2.439021 -1.771581
C 5.008802 -0.065750 0.392054
C 4.878479 1.226982 -0.179300
C -2.836006 -3.038723 0.249560
C -2.047268 -3.328113 -2.046687
C -2.980444 -3.619616 -1.020609
C -0.619982 -1.120055 2.546400
H -1.916237 0.216305 -1.503056
H -0.997790 1.642601 -2.229042
H -3.942691 -0.062414 -0.303091
H -5.173652 0.510337 0.847904
H -3.495638 0.260558 1.404339
H -3.793822 4.063578 1.143703
H -3.616582 2.707822 2.305938
H -5.213147 3.055240 1.567948
H -3.989671 3.563380 -1.369354
H -5.484731 2.627052 -1.060740
H -4.138500 1.868602 -1.952046
H 4.001911 -1.936891 0.932707
H -0.251799 -2.201112 -2.543155
H 5.743241 1.890947 -0.251132
H -3.530739 -3.266993 1.063771
H -2.135813 -3.790012 -3.034511
H -3.808390 -4.311969 -1.206856
H -0.390575 -0.097475 2.203581
H 0.227900 -1.812734 2.420198
H -0.928838 -1.093439 3.602391


