%chk=000220981.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220981

0 1
Br -3.132456 2.378949 1.232971
S 0.918265 1.431980 -1.022829
O 1.685692 2.873072 -1.121599
O 0.271577 0.728989 -2.357427
O -2.235023 -0.646594 0.095208
O -4.470949 -1.227047 -0.108263
C -0.508651 1.660245 0.358665
C -1.880178 1.752827 -0.282767
C 2.122000 0.198059 -0.227811
C -2.411676 0.453999 -0.883631
C 1.831412 -1.173444 -0.313885
C 3.279017 0.724582 0.366893
C 2.761309 -2.072236 0.259708
C 4.196397 -0.191867 0.933030
C 3.933929 -1.581371 0.882856
C -3.379550 -1.400481 0.425565
C -3.054331 -2.397475 1.512530
H -0.174680 2.591787 0.837411
H -0.408860 0.780069 1.010053
H -1.950022 2.569380 -1.019678
H -3.474992 0.534857 -1.163075
H -1.790034 0.207522 -1.765105
H 0.931187 -1.527909 -0.826721
H 3.458618 1.805083 0.361946
H 2.573485 -3.149910 0.212164
H 5.112462 0.179209 1.403943
H 4.650256 -2.284906 1.320673
H -3.189356 -1.913628 2.497481
H -2.010194 -2.738799 1.440167
H -3.746155 -3.250841 1.450326


%chk=000220981-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220981

0 1
Br -2.652308 2.296558 1.713646
S 0.831556 0.738726 -0.987418
O 1.132005 2.266365 -1.499179
O 0.199645 -0.392422 -1.992933
O -2.839359 -0.591134 0.147820
O -5.133330 -0.472679 -0.298144
C -0.387346 0.946016 0.558750
C -1.681543 1.563304 0.056407
C 2.422786 0.029309 -0.241276
C -2.596119 0.600705 -0.697537
C 2.572944 -1.366527 -0.225229
C 3.397897 0.936238 0.203825
C 3.779445 -1.884311 0.301662
C 4.596523 0.396934 0.727248
C 4.780794 -1.005535 0.779919
C -4.175794 -1.022841 0.281952
C -4.236280 -2.214916 1.209092
H 0.189436 1.609302 1.219089
H -0.515071 -0.067552 0.965887
H -1.487048 2.467908 -0.545937
H -3.557274 1.069735 -0.964965
H -2.069323 0.248011 -1.605752
H 1.791721 -2.014980 -0.635895
H 3.236866 2.015989 0.114305
H 3.938204 -2.967202 0.329807
H 5.383780 1.069490 1.082900
H 5.713405 -1.414745 1.183017
H -3.872093 -1.928938 2.211262
H -3.583175 -3.022114 0.835895
H -5.272443 -2.574591 1.280579


