%chk=000182097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182097

0 1
Br 5.544589 1.544695 0.319032
S -0.882448 -1.898583 0.061761
O -1.644209 -2.859921 -0.706690
O -0.359464 -2.226441 1.366294
N 0.448856 -1.557340 -0.997230
C -1.726207 -0.405563 0.134573
C -2.795832 -0.167327 -0.738529
C -1.363118 0.572406 1.068891
C 1.641365 -0.877809 -0.660390
C -3.119637 2.028297 0.241851
C -3.489383 1.040294 -0.688925
C -2.051690 1.783136 1.123664
C 1.997543 -0.623809 0.680724
C 2.481865 -0.430486 -1.707919
C -3.865938 3.317088 0.306529
C 3.158018 0.093638 0.965270
C 3.641001 0.283266 -1.413278
C 3.965591 0.550176 -0.080002
H 0.412143 -1.934395 -1.954667
H -3.096194 -0.937286 -1.459740
H -0.538601 0.387996 1.766983
H -4.320634 1.216916 -1.369576
H -1.762265 2.538779 1.852475
H 1.404285 -1.027225 1.508877
H 2.227248 -0.637390 -2.744487
H -3.234498 4.154778 0.635941
H -4.701824 3.246961 1.021568
H -4.298298 3.605617 -0.662074
H 3.432211 0.286177 2.004882
H 4.285826 0.630055 -2.223209


%chk=000182097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182097

0 1
Br 4.985064 2.165823 0.413951
S -0.923790 -2.164821 0.233791
O -1.881606 -3.198471 -0.573402
O -0.414086 -2.413211 1.753146
N 0.693227 -2.122617 -0.853290
C -1.716626 -0.449037 0.171450
C -2.665967 -0.199286 -0.833546
C -1.328739 0.504868 1.127049
C 1.634054 -1.101320 -0.566513
C -2.887898 2.091999 0.057126
C -3.250069 1.085583 -0.878467
C -1.925240 1.782758 1.055100
C 2.306903 -1.118135 0.689283
C 1.959643 -0.094376 -1.519377
C -3.542671 3.460008 0.014515
C 3.281781 -0.145047 0.983895
C 2.964179 0.856409 -1.243564
C 3.606407 0.828220 0.012302
H 0.337722 -2.138217 -1.825733
H -2.956499 -0.989758 -1.533509
H -0.604799 0.250709 1.907398
H -3.999578 1.307413 -1.646668
H -1.640239 2.547462 1.786525
H 2.062982 -1.900570 1.413478
H 1.437511 -0.062147 -2.483485
H -2.851273 4.251446 0.352042
H -4.427035 3.491678 0.679936
H -3.887688 3.714873 -1.002186
H 3.797047 -0.159395 1.948482
H 3.227587 1.613859 -1.987128


