%chk=000188444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188444

0 1
Br 4.059794 -0.760650 -0.000042
S -1.556197 -1.608679 -0.000124
O -3.805169 -0.121969 -0.000030
N -1.762582 0.999228 0.000081
C -0.373615 0.720742 0.000038
C -0.081763 -0.667233 0.000001
C 0.659030 1.666897 0.000035
C 1.224689 -1.130519 -0.000041
C 1.977764 1.203146 0.000030
C 2.246788 -0.172197 0.000009
C -2.610342 -0.131099 0.000131
H -2.121030 1.950676 0.000098
H 0.447875 2.733643 0.000009
H 1.448370 -2.199969 -0.000216
H 2.799687 1.924484 0.000021


%chk=000188444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188444

0 1
Br 4.138406 -0.772693 0.000035
S -1.597423 -1.679175 0.000060
O -3.888821 -0.060345 0.000754
N -1.760083 0.980429 -0.000148
C -0.378568 0.718364 -0.000151
C -0.084160 -0.673572 -0.000164
C 0.661128 1.670283 0.000038
C 1.244391 -1.134651 -0.000079
C 2.000299 1.219924 0.000020
C 2.272318 -0.166451 -0.000047
C -2.644273 -0.102704 -0.000870
H -2.151939 1.923705 0.000336
H 0.445132 2.743551 0.000131
H 1.476257 -2.202538 -0.000017
H 2.820632 1.942372 0.000104


