%chk=000279227.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279227

0 1
Br -0.945026 3.866343 0.895696
O 1.227035 -1.398860 1.988859
O -2.988060 2.065492 -0.528517
O 4.718740 -0.117575 -0.583652
N 2.931535 -0.724818 0.671073
C 0.574452 -0.047153 0.053132
C 0.367024 1.338332 0.711175
C 1.164550 0.036642 -1.372584
C -0.760362 -0.773114 -0.042197
C -0.646919 2.172801 -0.055765
C 1.547748 -0.794694 0.990405
C 2.568727 0.629691 -1.393506
C -1.949043 -0.036842 -0.203603
C -1.980478 1.451398 -0.267902
C 3.515818 -0.076300 -0.457429
C -0.816345 -2.172376 -0.014545
C -3.177409 -0.710217 -0.315971
C -2.043788 -2.833338 -0.126048
C -3.226780 -2.104202 -0.277173
H 1.331862 1.880306 0.791653
H 0.023745 1.188157 1.763012
H 0.492813 0.630894 -2.025105
H 1.178459 -0.979941 -1.822870
H -0.252789 2.467445 -1.060025
H 2.554123 1.712692 -1.135221
H 2.990549 0.594165 -2.424280
H 3.579226 -1.204804 1.318656
H 0.092426 -2.760199 0.122060
H -4.095290 -0.123556 -0.435476
H -2.075023 -3.923622 -0.090745
H -4.183023 -2.619847 -0.360710


%chk=000279227-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279227

0 1
Br -0.834111 4.008059 0.765474
O 1.214210 -1.390506 2.050839
O -3.117415 2.095355 -0.225283
O 4.808974 -0.044050 -0.519391
N 2.935124 -0.691443 0.679411
C 0.582769 -0.061645 0.051554
C 0.388104 1.360592 0.688571
C 1.198434 -0.004421 -1.385659
C -0.771196 -0.780500 -0.022558
C -0.668668 2.171837 -0.069789
C 1.562749 -0.788014 1.003591
C 2.610642 0.611367 -1.413029
C -1.984713 -0.037475 -0.142490
C -2.032025 1.462950 -0.135307
C 3.556104 -0.048644 -0.420041
C -0.836663 -2.193968 -0.059135
C -3.224756 -0.719540 -0.289434
C -2.069596 -2.861959 -0.205675
C -3.272511 -2.122750 -0.321644
H 1.340827 1.917017 0.703995
H 0.064835 1.233444 1.737792
H 0.527948 0.557323 -2.059768
H 1.236435 -1.036349 -1.783119
H -0.345935 2.403693 -1.101504
H 2.582811 1.694548 -1.182015
H 3.069234 0.522481 -2.412452
H 3.575755 -1.129379 1.355033
H 0.078848 -2.783447 0.054660
H -4.132509 -0.113754 -0.375659
H -2.094674 -3.956936 -0.221964
H -4.230532 -2.640982 -0.432605


