%chk=000258437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258437

0 1
Br 1.455227 2.773733 0.421200
S -0.548579 -1.022185 -0.876711
O 0.381295 -0.041144 0.195933
O -0.277885 -2.382872 -0.488958
O -0.230854 -0.568702 -2.199664
C -2.091762 -0.506932 -0.365804
C -4.621473 0.350895 0.488347
C -2.632403 0.688377 -0.860256
C -2.817250 -1.270119 0.560171
C 1.749116 -0.082780 0.174844
C -3.890690 1.114698 -0.439520
C -4.075563 -0.848282 0.982888
C 4.543670 -0.040967 0.285149
C 2.428167 1.141258 0.308683
C 2.461866 -1.289676 0.101451
C 3.821243 1.160527 0.367343
C 3.853785 -1.258865 0.152046
C -5.971973 0.799250 0.932051
C 6.036510 -0.018862 0.323202
H -2.067795 1.289808 -1.583000
H -2.395664 -2.204795 0.950236
H -4.305891 2.043242 -0.828693
H -4.635610 -1.446703 1.699857
H 1.929575 -2.243238 0.015230
H 4.351345 2.108520 0.472230
H 4.410577 -2.194146 0.089320
H -6.211875 0.471422 1.953769
H -6.081089 1.893253 0.915316
H -6.754407 0.389812 0.272646
H 6.448717 0.134495 -0.685934
H 6.425098 0.788765 0.958429
H 6.459474 -0.956987 0.706799


%chk=000258437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258437

0 1
Br 1.150997 2.430520 0.298929
S -0.562200 -1.226331 -0.840542
O 0.518038 -0.630958 0.823396
O -0.628496 -2.851043 -0.852953
O 0.013532 -0.415350 -2.127285
C -2.228347 -0.548586 -0.322614
C -4.726045 0.451350 0.439944
C -2.521589 0.792845 -0.616601
C -3.113250 -1.414093 0.340307
C 1.846796 -0.407206 0.584216
C -3.787178 1.282109 -0.229164
C -4.371036 -0.895817 0.717285
C 4.659695 0.035551 0.229458
C 2.367535 0.905031 0.348243
C 2.774897 -1.492884 0.621872
C 3.747011 1.123965 0.190463
C 4.150324 -1.274464 0.451904
C -6.092157 0.986073 0.826311
C 6.141106 0.271899 0.010884
H -1.792880 1.426391 -1.131888
H -2.832541 -2.452619 0.540936
H -4.045859 2.324670 -0.446100
H -5.083841 -1.547187 1.235450
H 2.370383 -2.495442 0.795767
H 4.120571 2.140554 0.029748
H 4.843686 -2.122093 0.490420
H -6.494629 0.469377 1.714516
H -6.058607 2.067761 1.042902
H -6.817506 0.838267 0.002815
H 6.387483 0.241532 -1.068633
H 6.457692 1.258812 0.390683
H 6.751319 -0.501835 0.507927


