%chk=000207607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207607

0 1
Br -0.905181 0.398152 -2.389180
S 4.154059 0.230938 0.017297
O -2.261654 1.533828 1.642717
O -1.940402 -2.289522 -0.928406
O 4.495964 1.043649 -1.129309
O 4.683606 0.515302 1.333847
N -1.764027 -0.310691 0.305708
N 4.668327 -1.363019 -0.360751
C -4.085415 0.195277 0.637770
C -3.955064 -1.075814 -0.225349
C -2.645708 0.621934 0.963125
C -2.476183 -1.365387 -0.382824
C -0.331837 -0.179090 0.301319
C -4.811118 1.333246 -0.064157
C 0.272996 0.139102 -0.931838
C 0.443748 -0.335272 1.454327
C 2.430023 0.087658 0.120049
C 1.654037 0.267896 -1.032615
C 1.833071 -0.197182 1.351103
H -4.602892 -0.042368 1.600846
H -4.419647 -0.953592 -1.225968
H -4.471683 -1.943741 0.228830
H -4.338711 1.603485 -1.018286
H -5.855942 1.072835 -0.274629
H -4.819742 2.242479 0.556814
H -0.024896 -0.550604 2.414921
H 2.123693 0.522148 -1.992143
H 2.452146 -0.306928 2.251360
H 5.049428 -1.544059 -1.286704
H 5.211304 -1.874459 0.331226


%chk=000207607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207607

0 1
Br -0.658712 0.439892 -2.772041
S 4.284138 0.188132 0.043584
O -2.240236 1.648954 1.474124
O -1.996169 -2.307653 -1.051120
O 4.686724 0.958211 -1.333228
O 4.766891 0.660591 1.523902
N -1.795598 -0.263270 0.139795
N 4.814646 -1.560394 -0.111448
C -4.094985 0.167775 0.683517
C -4.010277 -1.041894 -0.280650
C -2.644013 0.649859 0.842054
C -2.523203 -1.335834 -0.473808
C -0.368772 -0.142988 0.097356
C -5.021009 1.316653 0.226346
C 0.316572 0.125015 -1.116615
C 0.365354 -0.272040 1.300797
C 2.402120 0.049482 0.072815
C 1.723461 0.212345 -1.142412
C 1.770071 -0.173645 1.304212
H -4.422188 -0.166693 1.687805
H -4.443483 -0.806059 -1.270440
H -4.519420 -1.947011 0.088775
H -4.741691 1.671704 -0.782112
H -6.070736 0.976035 0.195456
H -4.947639 2.169432 0.922164
H -0.178890 -0.449704 2.232586
H 2.271296 0.436058 -2.062643
H 2.351435 -0.250552 2.227340
H 5.211215 -1.711757 -1.053041
H 5.475396 -1.764441 0.656030


