%chk=000279588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279588

0 1
Br -0.498473 -3.646653 3.055296
O 0.273748 -1.232353 -2.424588
O 4.283296 -1.452642 1.439880
O 2.609152 0.429178 -2.436978
O -2.070423 1.509367 -1.754039
O -4.450447 -1.771286 0.491106
N 3.341880 -0.817870 -0.607543
N -3.095290 -0.385214 -0.821695
C 2.694704 -2.102638 -0.963255
C -2.308149 -1.434111 -1.511091
C 1.295080 -2.186978 -0.421605
C -1.141699 -1.902961 -0.679011
C 0.180283 -1.756674 -1.170183
C 4.463372 0.851201 0.573708
C 3.955234 1.430087 -0.625871
C -3.850478 1.689578 -0.065566
C -4.589297 0.683499 0.617202
C 4.070257 -0.598032 0.623915
C 3.208781 0.378093 -1.388203
C -2.869268 1.030255 -0.996177
C -4.109705 -0.664798 0.160252
C 1.080070 -2.732322 0.852952
C -1.330651 -2.489845 0.572334
C -0.220309 -2.882747 1.329340
C 5.188762 1.598945 1.474079
C 4.170347 2.756684 -0.927034
C -4.084445 3.027537 0.165065
C -5.564714 1.010382 1.533838
C 5.412286 2.963976 1.166841
C 4.916672 3.527558 -0.001923
C -5.085416 3.367373 1.106802
C -5.806883 2.384353 1.773862
H 2.702805 -2.211271 -2.075218
H 3.323683 -2.933429 -0.556049
H -1.947806 -1.013833 -2.487754
H -2.983283 -2.293574 -1.740762
H 1.939163 -3.036707 1.460388
H -2.349181 -2.636221 0.955649
H 5.579447 1.162164 2.394538
H 3.780225 3.204039 -1.842984
H -3.521162 3.801840 -0.356991
H -6.132575 0.241368 2.059266
H 5.984252 3.574351 1.868312
H 5.098236 4.581546 -0.220702
H -5.286446 4.421268 1.305223
H -6.574458 2.665863 2.496492
H 1.175722 -0.813547 -2.620213


%chk=000279588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279588

0 1
Br -0.746295 -2.182536 3.691979
O 0.483755 -0.691466 -2.162332
O 4.832448 -1.645949 1.437943
O 2.942566 0.336486 -2.380652
O -2.589155 2.369134 0.090495
O -4.645345 -1.701076 -1.091158
N 3.654747 -0.900731 -0.493150
N -3.306107 0.209104 -0.611813
C 2.650779 -1.989120 -0.564499
C -2.071402 -0.225683 -1.268476
C 1.278740 -1.633638 -0.007939
C -1.036335 -0.823879 -0.322292
C 0.276314 -1.040932 -0.829322
C 5.451081 0.424389 0.185874
C 4.884194 1.012588 -0.973765
C -4.888698 1.503029 0.508264
C -5.507975 0.280383 0.151012
C 4.676132 -0.814851 0.514457
C 3.730811 0.169703 -1.402109
C -3.473441 1.482823 0.013384
C -4.508329 -0.562363 -0.581858
C 0.968085 -1.964507 1.335258
C -1.330922 -1.168773 1.010795
C -0.324334 -1.722922 1.827597
C 6.555782 0.999069 0.829617
C 5.400753 2.193008 -1.526362
C -5.586623 2.500182 1.205498
C -6.845428 0.013135 0.478939
C 7.088009 2.194691 0.277451
C 6.520251 2.781752 -0.881034
C -6.940221 2.239452 1.543778
C -7.560159 1.015044 1.186001
H 2.574830 -2.299849 -1.622736
H 3.080712 -2.822604 0.015606
H -1.623281 0.635253 -1.794514
H -2.350442 -0.971829 -2.035000
H 1.736381 -2.413882 1.972760
H -2.334557 -0.999029 1.410152
H 6.986069 0.539717 1.724803
H 4.952728 2.639331 -2.419304
H -5.098025 3.441559 1.475378
H -7.312663 -0.935461 0.196815
H 7.949734 2.673395 0.754261
H 6.951955 3.704710 -1.281924
H -7.517076 2.993652 2.089712
H -8.606118 0.842338 1.461174
H 1.432975 -0.388046 -2.357859


