%chk=000218837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218837

0 1
Br 5.580758 0.830569 -1.248277
S -5.147827 0.682708 0.703210
O -0.105542 0.253257 0.493215
N -3.039266 -0.805574 -0.033661
N 1.909860 -0.767317 -0.167746
C -2.949705 0.467089 -0.816669
C -2.091357 -0.827490 1.126771
C -4.441420 -0.997492 0.371962
C -3.838358 1.560678 -0.212826
C -0.678232 -1.106500 0.615593
C 1.187136 0.361002 0.097939
C 1.698466 1.678843 -0.010167
C 3.018829 1.819713 -0.414083
C 3.200774 -0.601903 -0.561902
C 3.777280 0.669553 -0.693562
H -3.271520 0.229142 -1.856164
H -1.888766 0.799995 -0.879669
H -2.390466 -1.638467 1.827766
H -2.097394 0.119436 1.717829
H -5.001110 -1.458427 -0.469820
H -4.566613 -1.635565 1.264903
H -3.285226 2.215594 0.482378
H -4.292766 2.203446 -0.985393
H -0.643969 -1.585154 -0.379736
H -0.062355 -1.673381 1.332988
H 1.065214 2.530629 0.222123
H 3.462654 2.813748 -0.513184
H 3.762421 -1.523433 -0.770417


%chk=000218837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218837

0 1
Br 5.790491 0.763648 -1.018714
S -5.216183 0.639267 0.945009
O -0.145683 0.304306 0.281677
N -3.074537 -0.783475 -0.103640
N 1.973769 -0.718133 0.000356
C -3.056331 0.525475 -0.809536
C -2.131707 -0.895860 1.042940
C -4.453545 -1.055011 0.228674
C -3.831507 1.581735 0.050603
C -0.671729 -1.050347 0.621980
C 1.204996 0.399563 -0.016432
C 1.707395 1.693395 -0.323187
C 3.074463 1.814915 -0.624726
C 3.301757 -0.594434 -0.291871
C 3.880187 0.649620 -0.607484
H -3.573122 0.396304 -1.777768
H -2.019075 0.842572 -0.993354
H -2.404587 -1.813320 1.596386
H -2.223431 -0.045452 1.755001
H -5.046785 -1.283761 -0.668676
H -4.566277 -1.833446 0.996332
H -3.179310 2.047800 0.806944
H -4.280511 2.361519 -0.584330
H -0.569623 -1.710614 -0.256779
H -0.061736 -1.458607 1.447756
H 1.040051 2.558529 -0.317233
H 3.505789 2.790249 -0.866343
H 3.898280 -1.511738 -0.270185


