%chk=000199404.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199404

0 1
Br -5.171129 -0.001412 -0.025452
S 3.340000 -1.349472 -0.161481
S 0.809439 -2.630850 0.328385
O 0.921657 2.273857 -0.151130
N 0.970168 -0.006785 -0.006265
C 3.110915 1.334601 0.142310
C 3.837763 0.309227 -0.695871
C 1.611382 1.290762 -0.031236
C -0.500338 -0.016954 -0.006792
C 1.602354 -1.241212 0.055621
C -1.178812 -0.135902 -1.228343
C -1.187623 0.107809 1.209196
C -2.576280 -0.131666 -1.229876
C -2.585132 0.111445 1.199701
C -3.260746 -0.007823 -0.017769
H 3.457753 2.365636 -0.114572
H 3.354265 1.222869 1.226394
H 3.641533 0.442502 -1.779115
H 4.938433 0.380924 -0.566486
H -0.628956 -0.233898 -2.164094
H -0.644855 0.194249 2.150171
H -3.119121 -0.224911 -2.172444
H -3.134771 0.205502 2.138251


%chk=000199404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199404

0 1
Br -5.231452 0.044645 -0.095916
S 3.410919 -1.409881 -0.302867
S 0.831936 -2.746302 0.420043
O 0.889956 2.296722 0.116472
N 0.990233 -0.034439 0.021720
C 3.127676 1.334380 0.179084
C 3.826619 0.376440 -0.788991
C 1.607555 1.266265 0.097254
C -0.478441 -0.029213 0.005066
C 1.631044 -1.297751 0.064070
C -1.149552 -0.196925 -1.222453
C -1.195222 0.167221 1.202120
C -2.560680 -0.177507 -1.258137
C -2.605682 0.190543 1.177516
C -3.270163 0.015760 -0.054704
H 3.400315 2.382331 -0.032058
H 3.443583 1.111379 1.217295
H 3.523355 0.538278 -1.835927
H 4.922912 0.446453 -0.710308
H -0.579674 -0.348728 -2.144374
H -0.661875 0.297585 2.148431
H -3.092509 -0.309044 -2.204265
H -3.172953 0.340285 2.100033


