%chk=000121254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121254

0 1
 Br  -5.047000      -1.696400      0.1601000    
 S   0.5181000       1.495100     -0.2022000    
 O   0.8909000       1.587200      -1.600900    
 O   0.3676000       2.698200      0.5937000    
 N    1.581600      0.4360000      0.5963000    
 C    3.173000      -1.443600      0.4547000    
 C    1.785600     -0.9345000      7.8900002E-02
 C    4.294300     -0.5837000     -0.1337000    
 C   -1.012500      0.6165000     -0.1026000    
 C    5.664300      -1.151900      0.2027000    
 C   -1.842300      0.8262000      0.9851000    
 C   -1.353000     -0.2649000      -1.114100    
 C   -3.050200      0.1330000       1.063900    
 C   -2.560900     -0.9581000      -1.035400    
 C   -3.409500     -0.7591000      5.3599998E-02
 H    3.271600      -1.468200       1.547200    
 H    3.277300      -2.476100      0.1000000    
 H    1.675200     -0.9540000      -1.009900    
 H    1.028300      -1.592100      0.5180000    
 H    4.233900      0.4404000      0.2515000    
 H    4.186600     -0.5280000      -1.223200    
 H    1.714400      0.5521000       1.608700    
 H    5.816300      -1.193400       1.286000    
 H    5.779400      -2.163300     -0.2001000    
 H    6.451000     -0.5239000     -0.2271000    
 H   -1.577200       1.510000       1.785600    
 H  -0.7050000     -0.4359000      -1.968000    
 H   -3.699300      0.2982000       1.920000    
 H   -2.825800      -1.650100      -1.830700    


%chk=000121254-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121254

0 1
Br -5.445302 -1.544784 0.332797
S 0.452338 1.411188 -0.272770
O 0.806332 1.407306 -1.857753
O 0.395651 2.743281 0.654948
N 1.726385 0.357343 0.503529
C 3.381423 -1.467275 0.354027
C 2.004352 -0.952233 -0.127935
C 4.566992 -0.590454 -0.103986
C -1.240102 0.556439 -0.100329
C 5.921432 -1.117533 0.415672
C -2.020978 0.857512 1.027807
C -1.653442 -0.319301 -1.117665
C -3.280058 0.228126 1.156083
C -2.912498 -0.949217 -0.985732
C -3.702361 -0.671583 0.151809
H 3.381418 -1.549552 1.461078
H 3.503919 -2.499260 -0.034220
H 2.035606 -0.784665 -1.220203
H 1.216806 -1.707999 0.089544
H 4.400934 0.447015 0.239465
H 4.580874 -0.552617 -1.211813
H 1.581516 0.363172 1.525788
H 5.944461 -1.135205 1.522027
H 6.115976 -2.147157 0.059272
H 6.755919 -0.479303 0.073004
H -1.672419 1.585829 1.767504
H -1.028200 -0.481160 -2.001669
H -3.919564 0.441969 2.016716
H -3.270710 -1.634182 -1.758898


