%chk=000212005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212005

0 1
Br 4.633407 -2.116331 -0.420061
S -0.020595 2.225133 0.207974
O -3.422891 -1.487030 0.612740
N -3.392269 0.715934 -0.145118
N -4.316198 -1.065945 -1.461790
C 1.022073 -0.153912 0.249183
C -1.055144 0.865170 0.650073
C 1.373975 1.192816 -0.014442
C -0.375957 -0.305150 0.625918
C -2.487046 1.103605 0.971098
C 1.997904 -1.157299 0.129312
C 2.663345 1.564445 -0.389740
C 3.281050 -0.774636 -0.247017
C 3.627760 0.563872 -0.506894
C -3.680925 -0.675356 -0.262314
H -0.809054 -1.276959 0.854830
H -2.773708 0.513630 1.884664
H -2.697315 2.172718 1.212879
H 1.742950 -2.198868 0.328300
H 2.916058 2.605552 -0.586820
H 4.647344 0.820806 -0.799014
H -3.221573 1.237279 -1.008008
H -4.826979 -0.397006 -2.016183
H -4.722914 -1.995269 -1.463071


%chk=000212005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212005

0 1
Br 4.816474 -2.111684 -0.295958
S -0.040924 2.265066 0.104226
O -3.522566 -1.578707 0.538012
N -3.387872 0.652309 -0.158271
N -4.577056 -0.930021 -1.440480
C 1.091934 -0.161147 0.300761
C -1.033146 0.833824 0.668150
C 1.406636 1.188921 -0.063575
C -0.289916 -0.326802 0.707918
C -2.506483 1.008645 0.968583
C 2.113954 -1.148096 0.231951
C 2.697345 1.566437 -0.482754
C 3.393029 -0.758049 -0.190275
C 3.704306 0.579227 -0.547678
C -3.808885 -0.673885 -0.306466
H -0.734259 -1.279870 1.006214
H -2.776086 0.334908 1.799910
H -2.728406 2.044949 1.279710
H 1.898021 -2.185248 0.503395
H 2.930729 2.600035 -0.756172
H 4.715013 0.843176 -0.870272
H -3.466651 1.308997 -0.935807
H -4.896242 -0.209241 -2.083798
H -4.895650 -1.886544 -1.570827


