%chk=000284511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284511

0 1
Br 1.532810 1.755939 2.312088
S -0.285962 1.111141 -0.191522
O -0.088833 0.871927 -1.594882
O -0.909820 2.294163 0.320180
O 3.539361 1.937386 0.008984
O 1.751104 3.019734 -0.558058
N 2.338907 2.085626 -0.050139
C 1.444412 1.017240 0.542215
C -1.018927 -0.292805 0.579472
C 1.973511 -0.366490 0.345188
C -2.461610 -0.406019 0.187972
C 2.181147 -0.820089 -0.972395
C 2.265230 -1.217132 1.420641
C -2.897338 -1.491944 -0.585589
C -3.382609 0.565716 0.612203
C 2.670849 -2.105612 -1.202459
C 2.750786 -2.507270 1.180768
C 2.956491 -2.953833 -0.126541
C -4.248400 -1.605220 -0.927491
C -4.729773 0.444743 0.265905
C -5.166251 -0.641041 -0.501328
H -0.476732 -1.234495 0.331775
H -0.948177 -0.237751 1.690668
H 1.951717 -0.171334 -1.827379
H 2.133354 -0.893090 2.453414
H -2.189497 -2.244028 -0.928828
H -3.045927 1.428673 1.193560
H 2.834517 -2.445793 -2.225843
H 2.978658 -3.161476 2.022446
H 3.343043 -3.956178 -0.308973
H -4.584044 -2.447706 -1.531173
H -5.441469 1.203083 0.592120
H -6.217424 -0.731267 -0.769800


%chk=000284511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284511

0 1
Br 1.670322 1.870982 2.369312
S -0.295646 1.213233 -0.229638
O -0.197886 0.957618 -1.839982
O -1.041499 2.545222 0.331708
O 3.176255 1.683122 -1.361316
O 2.234845 3.383198 -0.165645
N 2.483477 2.144043 -0.378074
C 1.837491 1.115798 0.565860
C -1.179743 -0.439624 0.671399
C 2.253103 -0.305350 0.430564
C -2.583977 -0.504910 0.225743
C 2.233010 -0.926210 -0.858999
C 2.602528 -1.093556 1.563953
C -2.934700 -1.253187 -0.934325
C -3.598385 0.197529 0.937104
C 2.566838 -2.288086 -0.991183
C 2.942226 -2.453615 1.416969
C 2.925309 -3.058876 0.139581
C -4.276763 -1.317378 -1.357642
C -4.939060 0.130588 0.510238
C -5.281228 -0.628215 -0.635514
H -0.514252 -1.235687 0.310986
H -1.013932 -0.175692 1.725575
H 1.956421 -0.347858 -1.742304
H 2.625236 -0.637145 2.557673
H -2.152140 -1.772084 -1.499408
H -3.326833 0.800002 1.811265
H 2.550805 -2.746749 -1.985445
H 3.223242 -3.037805 2.299551
H 3.189971 -4.115705 0.026384
H -4.542276 -1.894764 -2.249359
H -5.715686 0.672050 1.060317
H -6.323970 -0.676089 -0.968145


