%chk=000188727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188727

0 1
Br -4.754616 0.807006 -1.241728
S 0.835142 -0.456931 1.647588
O -0.582181 -2.154178 -0.858906
O 3.602535 -1.230932 0.392408
O 2.014202 -0.932785 -1.165534
N 2.970153 1.861907 -0.801722
C -0.855465 -0.695553 1.020279
C -0.865879 -0.791323 -0.519435
C 1.341073 1.179006 1.041549
C -1.764758 0.348982 1.578288
C 2.677136 0.948076 0.322300
C -2.219205 -0.475209 -1.115418
C -2.808666 0.826758 0.880401
C -3.078752 0.316278 -0.463439
C 2.670052 -0.473663 -0.256046
H -1.160189 -1.706855 1.427862
H -0.100305 -0.127098 -0.995082
H 1.454981 1.870628 1.897245
H 0.572577 1.623893 0.383545
H -1.564865 0.669066 2.602658
H 3.529629 1.026457 1.060521
H -2.406203 -0.925682 -2.091400
H -3.488236 1.575920 1.289371
H 0.367152 -2.234015 -1.139687
H 3.064364 2.821366 -0.484172
H 2.249166 1.828796 -1.519010
H 3.645257 -2.169914 0.060666


%chk=000188727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188727

0 1
Br -5.317001 0.164239 -1.089960
S 0.646529 -0.343020 1.830899
O -0.463866 -1.961789 -0.863427
O 4.168474 -1.080053 -0.134948
O 2.120055 -0.890678 -1.196588
N 3.391225 1.963138 -0.259245
C -1.101136 -0.535978 1.079203
C -1.111434 -0.727639 -0.457431
C 1.362845 1.128864 0.873686
C -2.042125 0.572225 1.523162
C 2.822447 0.830213 0.489676
C -2.549942 -0.745361 -0.978013
C -3.185237 0.836484 0.822083
C -3.481275 0.045538 -0.384554
C 2.936373 -0.463941 -0.339661
H -1.413247 -1.498783 1.538748
H -0.605341 0.143966 -0.939855
H 1.332094 2.031846 1.500667
H 0.749993 1.292909 -0.028677
H -1.819336 1.096179 2.458900
H 3.425995 0.689396 1.402504
H -2.737256 -1.348197 -1.870453
H -3.900525 1.592505 1.159668
H 0.504191 -1.767606 -1.007239
H 4.412085 2.008083 -0.288725
H 2.939086 2.169155 -1.154267
H 4.260428 -1.871692 -0.733050


