%chk=000221518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221518

0 1
Br 3.910587 -1.080736 -2.816305
Br -5.393183 -1.142393 0.288855
S -0.138126 2.455326 -1.665618
O 1.532055 2.651109 -1.554232
O 5.319483 -0.888624 0.009466
O -0.276255 1.141933 -2.248645
O -0.642370 3.614683 -2.345808
O -4.051005 -3.869566 -0.084517
C -0.227743 0.028995 0.376644
C -0.576101 1.399982 0.843603
C 1.224727 -0.224563 0.252902
C -1.174955 -0.913881 0.141113
C -0.571075 2.518138 -0.000196
C 2.046395 -0.168821 1.396520
C -0.836480 -2.293753 -0.232427
C -0.924568 1.551609 2.198239
C 1.778812 -0.506164 -1.000599
C 3.417506 -0.397006 1.307970
C -2.611807 -0.601471 0.254723
C -1.759714 -3.264385 -0.358713
C -0.914151 3.778645 0.516824
C 3.970915 -0.677417 0.028028
C 3.154014 -0.724836 -1.111325
C -1.257934 2.809017 2.702794
C -3.548740 -1.554327 0.141726
C -3.216898 -2.995400 -0.103831
C -1.255945 3.927462 1.860357
C 4.296357 -0.338327 2.509475
C -1.422292 -4.657893 -0.757062
H 1.601201 0.056225 2.367221
H 0.222383 -2.509577 -0.407653
H -0.937007 0.679995 2.853765
H 1.128030 -0.537210 -1.889423
H -2.880786 0.446714 0.427401
H -0.920979 4.657036 -0.144117
H -1.524454 2.920249 3.756039
H -1.520416 4.909648 2.252179
H 4.473214 0.702764 2.819350
H 3.863357 -0.873143 3.365095
H 5.287168 -0.783108 2.315482
H -0.483473 -5.009740 -0.310238
H -1.318976 -4.739207 -1.850832
H -2.214290 -5.369902 -0.463756
H 2.069840 2.076490 -2.123665
H 5.668977 -1.087568 -0.904312


%chk=000221518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221518

0 1
Br 3.735578 -2.065596 -2.718160
Br -5.504320 -1.046944 -0.378395
S 0.324730 2.668080 -1.383871
O 2.124642 2.649173 -0.911195
O 5.344494 -0.919122 -0.245653
O -0.018523 1.375278 -2.289087
O -0.008425 4.146471 -1.952975
O -4.230884 -3.896008 -0.707365
C -0.270039 -0.064492 0.382707
C -0.658134 1.265174 0.953298
C 1.176458 -0.309274 0.203147
C -1.259604 -1.030137 0.115108
C -0.374709 2.525190 0.370520
C 2.119242 0.158300 1.164267
C -0.936521 -2.437882 -0.095409
C -1.319027 1.312991 2.215597
C 1.661384 -0.977994 -0.957564
C 3.503035 -0.049798 1.030151
C -2.667879 -0.651775 0.044977
C -1.894016 -3.394546 -0.357635
C -0.683970 3.761840 0.958595
C 3.970608 -0.734785 -0.129441
C 3.037602 -1.177834 -1.102997
C -1.638337 2.536479 2.841527
C -3.636268 -1.585376 -0.234435
C -3.335212 -3.022737 -0.459364
C -1.317800 3.764752 2.221076
C 4.503000 0.432384 2.057761
C -1.567283 -4.857803 -0.531896
H 1.758317 0.691337 2.050474
H 0.107031 -2.749898 0.016679
H -1.558831 0.363512 2.705500
H 0.967241 -1.264842 -1.750390
H -2.941371 0.400078 0.167447
H -0.463655 4.691396 0.424060
H -2.141023 2.528787 3.814080
H -1.566119 4.715542 2.702392
H 5.220408 1.141721 1.606680
H 3.994588 0.934435 2.897366
H 5.102383 -0.406175 2.456045
H -0.484331 -5.044521 -0.437385
H -1.910047 -5.214793 -1.520309
H -2.107493 -5.471120 0.212256
H 2.648346 2.829246 -1.746019
H 5.560035 -1.401710 -1.089670


