%chk=000271111.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271111

0 1
Br 8.537764 -0.304144 -0.002144
S -0.168595 0.097567 0.002094
O 1.944615 1.637608 0.003914
O -7.122106 0.953570 -1.079361
O -7.122720 0.950069 1.083112
N -6.593736 0.746792 0.001693
C -2.626925 -0.821313 0.000282
C -1.242701 -1.378748 -0.000235
C 1.477418 -0.673863 0.001632
C -3.280663 -0.555424 -1.216881
C -3.281289 -0.559207 1.217924
C 3.877540 0.263797 0.001349
C 2.404559 0.516177 0.002477
C -5.218931 0.208476 0.001213
C -4.574708 -0.040113 -1.221563
C -4.575341 -0.043913 1.223540
C 4.429816 -1.025047 0.001017
C 4.726126 1.384247 0.000675
C 5.816655 -1.197276 -0.000013
C 6.113923 1.223092 -0.000379
C 6.642181 -0.069366 -0.000713
H -1.043416 -2.008278 -0.888248
H -1.043774 -2.010826 0.886045
H 1.625978 -1.310518 -0.889764
H 1.625889 -1.311575 0.892312
H -2.770650 -0.741367 -2.163109
H -2.771768 -0.748085 2.163835
H -5.093738 0.173531 -2.162742
H -5.094853 0.166800 2.165114
H 3.789088 -1.907028 0.001592
H 4.286192 2.388721 0.001009
H 6.243550 -2.201633 -0.000260
H 6.767018 2.098078 -0.000916


%chk=000271111-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271111

0 1
Br 8.636818 -0.920001 0.003336
S -0.188796 0.612838 -0.000899
O 2.325481 2.064453 0.001064
O -7.455473 0.421578 -1.135865
O -7.453360 0.419653 1.145149
N -6.862842 0.287959 0.003982
C -2.676595 -0.679575 -0.000737
C -1.205795 -1.014509 -0.002340
C 1.503242 -0.222315 -0.001339
C -3.378652 -0.508731 -1.223910
C -3.376390 -0.510871 1.224033
C 4.035940 0.365645 0.000536
C 2.609524 0.833176 -0.000251
C -5.415934 -0.038885 0.002364
C -4.749637 -0.190034 -1.233518
C -4.747346 -0.192195 1.236750
C 4.400465 -1.007781 0.000032
C 5.061557 1.350294 0.001881
C 5.757134 -1.393938 0.000849
C 6.419583 0.980979 0.002694
C 6.752235 -0.392588 0.002176
H -0.922905 -1.582856 -0.904736
H -0.921560 -1.585218 0.898148
H 1.592385 -0.864412 -0.898276
H 1.592033 -0.865998 0.894497
H -2.843134 -0.623622 -2.172576
H -2.839102 -0.627397 2.171498
H -5.306980 -0.057933 -2.164394
H -5.302961 -0.061717 2.168889
H 3.635139 -1.790958 -0.000989
H 4.767706 2.404935 0.002263
H 6.036040 -2.451328 0.000473
H 7.204576 1.742155 0.003715


