%chk=000063927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063927

0 1
 Br   7.271400      -1.813400      0.2321000    
 S  -0.7155000       2.405500     -0.8880000    
 O  -0.6914000     -5.4200001E-02 -5.1600002E-02
 O    3.512800       2.087400      0.2889000    
 O   -6.903600     -0.7221000     -9.4200000E-02
 N    1.383900       1.097900      7.3100001E-02
 N    1.215300      -1.264200     -0.1962000    
 N    1.139800       3.483700      0.5535000    
 C    3.419700     -0.2338000      0.1028000    
 C    2.611100      -1.353300     -0.1142000    
 C   0.6678000     -9.6400000E-02 -8.4700003E-02
 C    2.786000       1.102300      0.1884000    
 C   -1.294700      -1.330200     -0.1473000    
 C   -2.786500      -1.168900     -0.1332000    
 C    4.809700     -0.3667000      0.2063000    
 C    3.214000      -2.611900     -0.2257000    
 C   0.7441000       2.358000      9.3000000E-03
 C    5.395600      -1.626800      9.4200000E-02
 C    4.599000      -2.748500     -0.1233000    
 C   -3.472300      -1.003800      -1.331100    
 C   -3.468700      -1.185200       1.078000    
 C   -4.859000     -0.8530000      -1.317600    
 C   -4.855300      -1.034500       1.091400    
 C   -5.550500     -0.8683000     -0.1063000    
 C  -0.8487000       4.076900     -0.5274000    
 C   0.2243000       4.470600      0.2443000    
 C   -7.548100     -0.7472000       1.178500    
 H  -0.9988000      -1.967100      0.6974000    
 H   -1.005800      -1.834800      -1.079600    
 H    5.436600      0.5063000      0.3712000    
 H    2.604300      -3.497300     -0.3898000    
 H    5.039600      -3.738100     -0.2133000    
 H   -2.943600     -0.9871000      -2.280100    
 H   -2.936100      -1.311300       2.016700    
 H   -5.395000     -0.7232000      -2.253900    
 H   -5.329400      -1.055400       2.066800    
 H   -1.676700       4.671800     -0.8852000    
 H   0.3875000       5.474800      0.6117000    
 H   -7.225100      8.7700002E-02   1.809600    
 H   -7.421600      -1.715500       1.674500    
 H   -8.620600     -0.6170000       1.000400    


%chk=000063927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063927

0 1
Br 7.619402 -1.417946 -0.314051
S 0.072324 2.983491 -1.497452
O -0.587189 -0.289888 -0.003026
O 3.338488 2.215019 -0.195181
O -6.937344 -0.485149 -0.259589
N 1.381622 0.917636 -0.066894
N 1.434862 -1.500638 -0.041900
N 0.173534 2.641936 1.148493
C 3.553429 -0.212639 -0.155239
C 2.836954 -1.450637 -0.096878
C 0.778677 -0.359289 -0.033253
C 2.822003 1.069817 -0.144186
C -1.321706 -1.619306 0.071967
C -2.792188 -1.321983 0.018712
C 4.970708 -0.196979 -0.219790
C 3.570802 -2.668610 -0.102232
C 0.585567 2.095452 0.022548
C 5.660816 -1.414778 -0.224326
C 4.973540 -2.656075 -0.165498
C -3.482106 -1.302851 -1.223579
C -3.522619 -1.052301 1.200150
C -4.856920 -1.021679 -1.284814
C -4.904500 -0.766271 1.160661
C -5.573037 -0.751000 -0.090037
C -0.750883 4.146798 -0.419236
C -0.579968 3.795211 0.910881
C -7.728633 -0.187927 0.938373
H -1.005746 -2.101549 1.012961
H -0.970565 -2.232458 -0.775246
H 5.483289 0.768411 -0.262989
H 3.017524 -3.610870 -0.057105
H 5.534810 -3.594963 -0.170006
H -2.933503 -1.507922 -2.150530
H -3.005166 -1.058043 2.166926
H -5.398423 -1.005986 -2.235179
H -5.440365 -0.561702 2.091922
H -1.287798 4.996897 -0.834373
H -0.981326 4.347054 1.760931
H -7.353451 0.717721 1.452940
H -7.730352 -1.042948 1.641885
H -8.749062 -0.009357 0.569640


