%chk=000227446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227446

0 1
Br 4.029978 2.717980 -0.943003
O -1.029509 -0.307119 -0.782430
O 1.362450 -2.504335 0.529168
O 5.208262 -0.188014 -0.634630
O -3.024789 1.049260 2.551882
C 1.090039 -0.050751 0.145272
C -0.351411 0.083669 0.375064
C -3.146001 0.261528 0.313227
C -2.419308 -0.194089 -0.793923
C 1.814189 -1.257332 0.225304
C -0.980289 0.531607 1.475479
C -2.443690 0.660976 1.559964
C 1.785512 1.133937 -0.192130
C 3.212856 -1.275942 0.004963
C 3.868399 -0.095169 -0.314780
C 3.152816 1.124582 -0.419968
C -4.547626 0.331879 0.198759
C -3.026975 -0.582183 -1.999498
C -5.173476 -0.047008 -0.984819
C -4.413756 -0.500867 -2.079094
C -0.046379 -2.740120 0.776625
C 6.130744 0.349077 0.351644
H -0.427077 0.831456 2.368082
H 1.218728 2.068922 -0.274773
H 3.759805 -2.217812 0.071588
H -5.124625 0.689420 1.058018
H -2.418064 -0.924293 -2.833713
H -6.257740 0.008665 -1.070499
H -4.919819 -0.791478 -3.001756
H -0.370949 -2.198040 1.670085
H -0.056001 -3.825234 0.951727
H -0.636769 -2.481850 -0.110185
H 6.210763 -0.371386 1.171556
H 5.827510 1.334845 0.711703
H 7.063505 0.410220 -0.223811


%chk=000227446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227446

0 1
Br 4.172081 2.982627 0.030864
O -1.084601 -0.441537 -0.724144
O 1.229443 -2.446537 -0.186419
O 5.248850 0.042229 -0.735245
O -3.096321 1.745987 2.228920
C 1.082392 0.052145 0.176855
C -0.384777 0.183918 0.322427
C -3.213488 0.403933 0.208432
C -2.492886 -0.333519 -0.766146
C 1.774202 -1.161437 -0.135019
C -1.036532 0.902686 1.300790
C -2.492354 1.079611 1.324505
C 1.842604 1.255171 0.251198
C 3.160159 -1.123039 -0.418227
C 3.896227 0.075522 -0.365214
C 3.220623 1.275394 -0.005727
C -4.626344 0.472110 0.088079
C -3.134139 -0.991181 -1.837644
C -5.284626 -0.175739 -0.970896
C -4.535951 -0.907441 -1.933968
C 0.099997 -2.819007 0.684761
C 6.227044 0.072556 0.375900
H -0.456881 1.349662 2.112564
H 1.319510 2.192799 0.459297
H 3.674671 -2.054236 -0.669314
H -5.169733 1.044372 0.847300
H -2.534251 -1.540736 -2.568811
H -6.374264 -0.117951 -1.059135
H -5.050299 -1.408859 -2.760604
H 0.133993 -2.266729 1.641738
H 0.227887 -3.896606 0.870241
H -0.859578 -2.637690 0.174798
H 6.104266 -0.821450 1.016944
H 6.120494 0.990972 0.981290
H 7.213890 0.057002 -0.109292


