%chk=000063858.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063858

0 1
 Br  -7.401800     -0.9957000       1.538400    
 S    2.209300       1.817300       1.242900    
 O   -1.201700       3.500700      0.6606000    
 O   -3.214100       1.989800     -0.2766000    
 O    6.900700      -1.517900      0.5363000    
 N   0.1794000       1.904800     -0.3485000    
 N   -1.593700      0.5296000      -1.099200    
 N   -1.937700      -1.822500      -1.047500    
 N    1.919600      0.4034000     -0.9775000    
 C  -0.6923000       1.609900      -1.468800    
 C    1.395400       1.281400     -0.1944000    
 C  -0.1711000       2.834100      0.6275000    
 C   0.8832000       2.953300       1.697700    
 C   -2.820600      0.8516000     -0.5128000    
 C   -3.668400     -0.3138000     -0.1710000    
 C   -3.191200      -1.601000     -0.4528000    
 C   -1.224900     -0.7828000      -1.331800    
 C   -4.921500     -0.1276000      0.4220000    
 C   -3.991700      -2.702300     -0.1299000    
 C    3.181900     -8.3499998E-02 -0.5939000    
 C   -5.706500      -1.235800      0.7372000    
 C   -5.243000      -2.521000      0.4620000    
 C    3.268800      -1.203600      0.2262000    
 C    4.333000      0.5588000      -1.038100    
 C    4.520800      -1.686800      0.6064000    
 C    5.585100      7.5499997E-02 -0.6580000    
 C    5.678900      -1.047300      0.1643000    
 C    6.924200      -2.668800       1.379300    
 H   -1.267400       2.504800      -1.728700    
 H  -9.4300002E-02   1.306000      -2.334600    
 H    1.258500       3.979000       1.730900    
 H   0.4581000       2.671100       2.664000    
 H  -0.2423000     -0.9069000      -1.808900    
 H   -5.286000      0.8736000      0.6380000    
 H   -3.644300      -3.711400     -0.3383000    
 H   -5.843900      -3.394500      0.7020000    
 H    2.371000      -1.709200      0.5724000    
 H    4.269500       1.432700      -1.681000    
 H    4.521200      -2.562800       1.245800    
 H    6.483600      0.5778000      -1.005700    
 H    7.975300      -2.904100       1.575800    
 H    6.488900      -3.541500      0.8809000    
 H    6.455100      -2.467300       2.348400    


%chk=000063858-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063858

0 1
Br -8.089560 -0.867856 -0.880258
S 2.156293 2.075166 2.183042
O -1.495490 3.329040 1.161429
O -3.254598 1.910614 -1.526339
O 6.954412 -2.199493 -0.540293
N 0.179345 1.888830 0.357719
N -1.586463 0.500673 -0.644466
N -2.041077 -1.744227 0.121559
N 2.018657 0.530495 -0.234135
C -0.560213 1.548755 -0.868108
C 1.480529 1.355154 0.594292
C -0.364939 2.798324 1.283545
C 0.581699 3.077549 2.448230
C -2.949282 0.811389 -0.984714
C -3.895492 -0.273946 -0.653727
C -3.412267 -1.510271 -0.114491
C -1.212482 -0.753338 -0.146379
C -5.281715 -0.079091 -0.885204
C -4.342756 -2.542765 0.184934
C 3.270562 -0.123458 -0.197749
C -6.169381 -1.116203 -0.573683
C -5.715407 -2.351970 -0.039749
C 4.067319 -0.315444 0.964766
C 3.735238 -0.660172 -1.434072
C 5.296198 -1.004698 0.893336
C 4.960337 -1.335355 -1.516302
C 5.751543 -1.509681 -0.350716
C 7.809448 -2.413307 0.631454
H -1.109416 2.436791 -1.223884
H 0.179521 1.203095 -1.606328
H 0.823406 4.151166 2.478833
H 0.109474 2.779399 3.396978
H -0.138504 -0.893508 0.012133
H -5.616490 0.876170 -1.299539
H -3.960237 -3.482708 0.592645
H -6.430902 -3.145933 0.192114
H 3.726243 0.042079 1.941788
H 3.112106 -0.526591 -2.323658
H 5.881538 -1.143415 1.806978
H 5.325087 -1.741471 -2.464143
H 8.685527 -2.957814 0.250745
H 7.294403 -3.023995 1.398037
H 8.130884 -1.450879 1.074376


