%chk=000211727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211727

0 1
Br -5.794523 0.805604 0.660874
S 2.373740 -1.539353 -0.850796
S -0.231287 -2.969839 -0.568295
O 0.743032 1.929984 -0.384702
N 0.139452 -0.308428 -0.408148
C 2.497679 0.277806 -0.745626
C 3.448519 0.689785 0.372662
C 1.089351 0.784031 -0.494133
C 4.913383 0.387371 0.027864
C 0.620476 -1.604894 -0.583280
C -1.270669 -0.050106 -0.150987
C 5.850331 0.887207 1.124043
C -1.986255 0.766265 -1.040867
C -1.882729 -0.608385 0.982462
C -3.337281 1.022706 -0.793707
C -3.235556 -0.352919 1.219191
C -3.946165 0.458250 0.330063
H 2.855294 0.673582 -1.731983
H 3.175526 0.193829 1.327636
H 3.329460 1.781110 0.564483
H 5.184886 0.859176 -0.937516
H 5.058610 -0.703002 -0.113351
H 5.771520 1.971502 1.266786
H 5.637601 0.412786 2.089630
H 6.896600 0.667196 0.878881
H -1.495479 1.206276 -1.909556
H -1.318292 -1.240132 1.670075
H -3.903210 1.658181 -1.477955
H -3.724712 -0.787290 2.093553


%chk=000211727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211727

0 1
Br -5.844769 0.870101 0.726166
S 2.417673 -1.621113 -0.937942
S -0.272878 -3.077808 -0.661967
O 0.745104 1.941637 -0.371432
N 0.133347 -0.342977 -0.434871
C 2.498379 0.272081 -0.762799
C 3.459146 0.727087 0.357974
C 1.063171 0.738126 -0.512082
C 4.938617 0.408861 0.050974
C 0.617851 -1.654011 -0.645396
C -1.267395 -0.071743 -0.166562
C 5.880432 0.894473 1.172887
C -1.997472 0.745392 -1.055543
C -1.877432 -0.606344 0.988901
C -3.354820 1.029823 -0.792704
C -3.234854 -0.330353 1.256240
C -3.957250 0.484684 0.359621
H 2.833171 0.675029 -1.735936
H 3.158213 0.254686 1.312898
H 3.327550 1.821024 0.477178
H 5.223382 0.887506 -0.908158
H 5.063508 -0.683718 -0.089759
H 5.793433 1.986946 1.321299
H 5.640823 0.403317 2.134212
H 6.935003 0.669236 0.933088
H -1.514902 1.164065 -1.943056
H -1.303826 -1.237365 1.673093
H -3.927542 1.662625 -1.475706
H -3.716362 -0.742969 2.146683


