%chk=000269431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269431

0 1
Br 3.891244 -1.878684 0.490644
S -3.201673 -0.698038 0.136399
O -1.776505 0.028905 -0.517136
O -3.254109 -2.023762 -0.408754
O -3.156939 -0.501252 1.551349
N 0.178053 1.899792 -0.356461
C 0.515919 0.564700 -0.195245
C 1.858638 0.135245 0.023210
C -0.529316 -0.438828 -0.247286
C 2.108920 -1.261805 0.187125
C -0.243359 -1.778188 -0.092406
C 1.096246 -2.189069 0.133199
C 2.870336 1.147396 0.067610
C 2.525815 2.465231 -0.093885
C 1.149993 2.805145 -0.305198
C -4.300062 0.380080 -0.645619
H -1.024652 -2.543651 -0.157249
H 1.292747 -3.257828 0.257502
H 3.912429 0.862009 0.230483
H 3.271236 3.257494 -0.064413
H -3.779442 1.197875 -1.186805
H -4.935904 -0.104798 -1.404655
H -4.984713 0.896482 0.047830
H 0.858696 3.855451 -0.433139


%chk=000269431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269431

0 1
Br 4.167554 -1.518538 0.476872
S -3.141493 -0.381678 0.475721
O -1.815628 -1.033593 -0.961798
O -4.378699 -1.426520 0.552524
O -2.313705 0.016785 1.815124
N -0.348234 1.346223 -0.536774
C 0.280087 0.123519 -0.391584
C 1.695182 0.014770 -0.076477
C -0.508278 -1.086749 -0.564381
C 2.261359 -1.297325 0.056359
C 0.104650 -2.343584 -0.384940
C 1.490126 -2.453355 -0.095592
C 2.428833 1.233834 0.086739
C 1.776947 2.458422 -0.060896
C 0.384078 2.466393 -0.375020
C -3.656365 1.171847 -0.487732
H -0.511893 -3.240524 -0.496881
H 1.945963 -3.440479 0.017510
H 3.494849 1.188875 0.328759
H 2.312365 3.404360 0.059967
H -2.694398 1.665768 -0.691593
H -4.145039 0.798505 -1.397478
H -4.337183 1.735646 0.165746
H -0.147482 3.417298 -0.497075


