%chk=000221190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221190

0 1
Br 3.402875 -1.509334 0.176866
S -2.721870 0.270402 -0.142144
O -3.049284 0.382137 1.504531
O -2.814420 1.623097 -0.618050
O -3.555306 -0.774424 -0.656821
O 2.849164 1.575691 0.990084
O 2.922202 1.383587 -1.169247
N 2.456743 1.147371 -0.074581
C -1.075980 -0.253802 -0.061481
C -0.048040 0.698657 -0.108905
C 1.265261 0.244292 -0.034421
C -0.791398 -1.617341 0.054476
C 1.556213 -1.124347 0.087064
C 0.537632 -2.066394 0.130837
H -0.271759 1.770193 -0.209068
H -1.608145 -2.353214 0.080464
H 0.759209 -3.132669 0.222687
H -3.726398 1.022397 1.773108


%chk=000221190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221190

0 1
Br 3.425986 -1.918195 0.240865
S -2.764319 0.321594 -0.224232
O -3.009074 0.564159 1.597161
O -2.789806 1.758556 -0.961834
O -3.700138 -0.897718 -0.723130
O 3.468343 1.103768 0.652777
O 2.168681 2.286140 -0.805516
N 2.412288 1.261899 -0.061033
C -0.995243 -0.276871 -0.054698
C 0.029287 0.668291 -0.132792
C 1.358980 0.206769 -0.008682
C -0.773595 -1.651704 0.120314
C 1.636804 -1.176120 0.161801
C 0.560844 -2.095224 0.214103
H -0.169452 1.731472 -0.301783
H -1.610338 -2.355627 0.159799
H 0.772902 -3.161314 0.329376
H -3.935452 0.916425 1.742900


