%chk=000154006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154006

0 1
 Br  -6.003200     -0.4856000     -0.5191000    
 S    3.476700      0.1581000     -0.3243000    
 O    1.388000       3.370600      4.1499998E-02
 O    3.510900       3.028400     -0.4009000    
 N  -0.2006000       1.097500      0.4365000    
 N    2.357400       2.583800     -0.1451000    
 C    1.184300     -0.9213000      0.1905000    
 C   0.9940000      0.5013000      0.1964000    
 C    2.514500      -1.252600     -8.5299999E-02
 C    2.150100       1.196900     -6.6699997E-02
 C   0.2644000      -1.974500      0.4125000    
 C   -1.577900      0.7219000      0.2102000    
 C    2.942500      -2.593500     -0.1444000    
 C   0.6859000      -3.305600      0.3550000    
 C    2.011200      -3.609500      7.8800000E-02
 C   -2.543800       1.196500       1.070200    
 C   -1.874400     -9.6299998E-02 -0.8579000    
 C   -3.873000      0.8345000      0.8513000    
 C   -3.203700     -0.4581000      -1.076900    
 C   -4.203000      7.3000002E-03 -0.2223000    
 H  -0.1784000       2.055500      0.7868000    
 H  -0.7658000      -1.796500      0.6997000    
 H    3.978400      -2.840800     -0.3588000    
 H  -2.5699999E-02  -4.104800      0.5427000    
 H    2.330400      -4.647500      3.9500002E-02
 H   -2.292900       1.839700       1.908300    
 H   -1.119400     -0.4385000      -1.558700    
 H   -4.639700       1.205200       1.526900    
 H   -3.444800      -1.097000      -1.922700    


%chk=000154006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154006

0 1
Br -6.154023 -0.418590 -0.493353
S 3.627192 0.160080 -0.345990
O 1.273262 3.334732 0.300726
O 3.482997 3.099005 -0.317976
N -0.220814 1.147516 0.403549
N 2.326690 2.589858 -0.023530
C 1.194078 -0.970449 0.134580
C 0.958950 0.476849 0.159480
C 2.561494 -1.294470 -0.142896
C 2.169475 1.189790 -0.033525
C 0.292039 -2.033880 0.424446
C -1.562726 0.717040 0.202470
C 3.018444 -2.626944 -0.191029
C 0.745698 -3.363464 0.388852
C 2.098192 -3.662521 0.068042
C -2.570633 1.260685 1.041075
C -1.933546 -0.145355 -0.863063
C -3.927076 0.933007 0.836859
C -3.286691 -0.487140 -1.063757
C -4.272446 0.052077 -0.209643
H -0.049400 2.166690 0.555941
H -0.747768 -1.821968 0.683517
H 4.066375 -2.854018 -0.410655
H 0.049491 -4.177288 0.614967
H 2.433780 -4.704403 0.036789
H -2.290360 1.932998 1.858851
H -1.174611 -0.529547 -1.551150
H -4.698126 1.353224 1.488445
H -3.567536 -1.148415 -1.888321


