%chk=000276852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276852

0 1
Br -2.715582 4.974461 -0.633147
O -1.619461 0.139114 1.604873
O 0.657777 -0.713505 1.629754
O -1.520956 -0.869928 -3.040663
O 2.357419 0.156027 -2.640997
O 1.939336 3.884133 1.809065
O -2.541497 -3.429155 -2.171775
O 3.433797 -2.515038 -2.562796
O -0.247775 5.658267 1.207769
C 0.012414 0.382082 -0.969524
C -1.239990 -0.424090 -0.718297
C 1.243092 -0.419170 -0.612391
C -0.044389 1.772031 -0.359001
C -1.936642 -0.492815 0.449768
C 1.527236 -0.958808 0.598246
C -1.741525 -1.163123 -1.892963
C 2.220846 -0.601345 -1.717706
C -3.194941 -1.262668 0.604918
C 2.732720 -1.769106 0.881612
C -3.540377 -2.198928 -0.392215
C 3.515502 -2.216382 -0.201504
C 0.962643 2.268376 0.475421
C -1.136816 2.590945 -0.690292
C -2.623473 -2.400026 -1.554246
C 3.111661 -1.871969 -1.600129
C 0.884387 3.571492 0.991487
C -4.035466 -1.077821 1.706982
C 3.111376 -2.099089 2.188277
C -1.219287 3.884654 -0.178238
C -4.714624 -2.944843 -0.276722
C 4.653090 -2.996022 0.026314
C -0.223732 4.396974 0.665022
C -5.219346 -1.820339 1.811008
C 4.258515 -2.868973 2.413247
C -5.558344 -2.748961 0.825383
C 5.027133 -3.318124 1.336543
C 2.039903 5.244046 2.309655
H 0.062165 0.568314 -2.098730
H 1.840531 1.672002 0.728108
H -1.916672 2.211505 -1.356334
H -3.763640 -0.354369 2.480133
H 2.517216 -1.752877 3.036187
H -4.966231 -3.679148 -1.047026
H 5.241652 -3.351769 -0.825720
H -0.735987 0.636128 1.552216
H 0.887705 -1.207072 2.463146
H -5.876314 -1.669391 2.668504
H 4.550967 -3.118537 3.434602
H -6.479444 -3.326462 0.910298
H 5.918593 -3.921785 1.513658
H -1.027673 6.190170 0.882155
H 2.089720 5.950914 1.475141
H 2.982473 5.205539 2.867072
H 1.187512 5.465467 2.961051


%chk=000276852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276852

0 1
Br -2.477706 5.216305 -1.126674
O -1.955286 0.468446 1.539463
O 0.591875 -0.957417 1.609258
O -0.732772 -1.788120 -2.556919
O 2.127755 0.356399 -2.694166
O 1.575721 3.912132 2.205014
O -3.046392 -3.347961 -2.333978
O 4.430588 -1.218500 -2.405635
O -0.373674 5.766710 1.152441
C -0.051034 0.334270 -0.864630
C -1.289730 -0.533489 -0.591643
C 1.261189 -0.395616 -0.584033
C -0.123159 1.763476 -0.294910
C -2.147555 -0.416248 0.498779
C 1.541546 -1.065222 0.592072
C -1.533582 -1.581981 -1.590793
C 2.275820 -0.349243 -1.653636
C -3.365961 -1.234993 0.670108
C 2.772680 -1.851023 0.830021
C -3.691812 -2.237915 -0.289429
C 3.761806 -1.921461 -0.197314
C 0.754297 2.247226 0.703504
C -1.077660 2.656545 -0.850727
C -2.801331 -2.469874 -1.461754
C 3.573970 -1.182299 -1.482349
C 0.695790 3.581469 1.170087
C -4.221969 -1.033938 1.780876
C 3.005849 -2.546855 2.043856
C -1.140456 3.973997 -0.377328
C -4.859847 -3.020496 -0.129301
C 4.939023 -2.679645 -0.003973
C -0.284072 4.471762 0.638330
C -5.386639 -1.818532 1.931217
C 4.182994 -3.304802 2.228895
C -5.709498 -2.813737 0.977248
C 5.154094 -3.375412 1.203630
C 2.300946 5.203052 2.142603
H -0.031774 0.454123 -1.968633
H 1.531503 1.609349 1.132490
H -1.750186 2.319488 -1.644616
H -3.967911 -0.262207 2.511474
H 2.287251 -2.521555 2.874173
H -5.077858 -3.782034 -0.885142
H 5.670428 -2.705156 -0.818332
H -1.110845 0.987328 1.419826
H 0.788273 -1.532077 2.389295
H -6.043713 -1.652778 2.791708
H 4.340794 -3.837505 3.172224
H -6.614014 -3.418793 1.097772
H 6.065315 -3.963869 1.348612
H -1.104699 6.262294 0.692250
H 2.887825 5.265036 1.206926
H 2.977120 5.180194 3.010033
H 1.603880 6.052152 2.208932


