%chk=000281446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281446

0 1
Br 6.613199 2.187864 -0.027720
S -1.328593 -1.573836 0.014025
O -1.342188 -2.262513 1.286295
O -1.336997 -2.280178 -1.248571
O 1.454351 -2.331914 0.021595
C 0.050064 -0.426770 0.008940
C -2.657278 -0.454648 0.003488
C 1.380297 -1.125277 0.011312
C -3.208033 -0.031693 -1.210014
C -3.212347 -0.014002 1.208714
C 2.612353 -0.271180 0.001325
C -4.831444 1.316943 -0.013352
C -4.283215 0.856940 -1.223771
C -4.287533 0.874702 1.205630
C 2.578169 1.129808 -0.012696
C 3.851363 -0.935354 0.006523
C -5.975041 2.274783 -0.022253
C 3.767202 1.864972 -0.021392
C 5.045848 -0.210837 -0.002044
C 4.987302 1.184050 -0.015916
H -0.015428 0.248608 0.886146
H -0.016784 0.242444 -0.872753
H -2.803712 -0.409312 -2.156525
H -2.811428 -0.377739 2.162075
H -4.705230 1.183355 -2.172288
H -4.712937 1.214980 2.147740
H 1.628563 1.664961 -0.017033
H 3.870169 -2.032277 0.017348
H -5.613600 3.314902 -0.025053
H -6.616996 2.155939 -0.906733
H -6.624266 2.163233 0.857890
H 3.736073 2.955455 -0.032316
H 6.003898 -0.734307 0.002085


%chk=000281446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281446

0 1
Br 6.815873 2.208544 -0.028433
S -1.343524 -1.632205 0.014529
O -1.379856 -2.384464 1.461643
O -1.374812 -2.404879 -1.421931
O 1.557415 -2.386226 0.023854
C 0.165681 -0.388107 0.008307
C -2.793614 -0.394481 0.003046
C 1.504438 -1.128194 0.012432
C -3.320684 -0.002517 -1.236794
C -3.324301 0.016768 1.235100
C 2.746732 -0.287081 0.002102
C -4.983419 1.350483 -0.013763
C -4.423569 0.881067 -1.232195
C -4.427098 0.900183 1.213494
C 2.719134 1.132914 -0.010785
C 4.001953 -0.954652 0.005675
C -6.154071 2.316567 -0.023010
C 3.917820 1.876162 -0.019864
C 5.205780 -0.226520 -0.003321
C 5.148817 1.185754 -0.016022
H 0.010124 0.224157 0.912366
H 0.010385 0.215351 -0.901658
H -2.906099 -0.406030 -2.167048
H -2.912570 -0.372195 2.172787
H -4.861540 1.199720 -2.185030
H -4.867800 1.233686 2.159976
H 1.767934 1.675919 -0.013818
H 4.008223 -2.049466 0.015614
H -5.799443 3.365444 -0.026827
H -6.785186 2.180711 -0.918023
H -6.791996 2.189664 0.868519
H 3.895804 2.969258 -0.029695
H 6.169272 -0.743231 -0.000527


