%chk=000197659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197659

0 1
Br -0.763922 0.359480 -1.963700
O 1.886369 0.116472 1.187619
O -1.526858 -0.357281 1.945809
O 4.369689 -0.121549 -1.092042
O 2.522284 3.284067 0.212315
O 0.032216 -3.262021 -0.466600
O -3.904300 -0.926337 -0.696825
N 0.051290 -1.073493 0.300452
N -1.934767 -2.090428 -0.635909
C 1.501531 -1.173577 0.698715
C 2.409725 -1.492213 -0.496107
C 2.941891 -0.131014 -0.968517
C 2.655550 0.854656 0.190149
C -0.774412 0.051716 0.803006
C -1.836432 0.331593 -0.287550
C -2.663694 1.582474 -0.060988
C -0.559016 -2.219038 -0.259424
C 1.847200 2.097092 -0.205434
C -2.711291 -0.909560 -0.527439
C -1.863956 2.876162 -0.042232
C -0.847487 -0.204079 3.212310
H 1.607987 -1.859240 1.570712
H 1.883339 -2.051905 -1.294228
H 3.242050 -2.151391 -0.177175
H 2.504121 0.182611 -1.938910
H 3.593007 1.133807 0.731100
H -0.124637 0.940147 1.029406
H -3.209631 1.456968 0.906184
H -3.462220 1.642088 -0.837058
H 0.889299 2.135973 0.364128
H 1.630019 2.154058 -1.286574
H -2.406749 -2.959532 -0.928422
H 4.668752 -0.778410 -1.752612
H -1.112973 2.898098 0.756168
H -1.349681 3.061411 -0.994819
H -2.527458 3.736268 0.126506
H -0.677279 0.856240 3.421266
H 0.090496 -0.766792 3.218526
H -1.570820 -0.635388 3.916807
H 3.353170 3.406268 -0.295117


%chk=000197659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197659

0 1
Br -0.988248 0.494909 -2.312219
O 1.786881 0.187306 1.307909
O -1.665097 -0.001355 1.827587
O 4.046302 0.285915 -1.553743
O 3.898561 2.913297 -0.199644
O 0.057403 -3.415720 0.068904
O -3.891677 -1.255392 -1.098592
N -0.029538 -1.096317 0.373865
N -1.932778 -2.285376 -0.396961
C 1.432682 -1.117357 0.726860
C 2.356648 -1.320225 -0.503127
C 2.748342 0.123381 -0.880837
C 2.871338 0.805345 0.495813
C -0.884504 0.078293 0.585018
C -1.977240 0.190295 -0.505690
C -2.971595 1.338422 -0.289894
C -0.581507 -2.324551 0.032873
C 2.725408 2.330994 0.457582
C -2.704547 -1.157369 -0.699465
C -2.345986 2.729135 -0.081082
C -0.850557 -0.001481 3.054523
H 1.579979 -1.907655 1.482657
H 1.852084 -1.882132 -1.303330
H 3.262825 -1.872650 -0.195873
H 1.944737 0.601729 -1.477842
H 3.855100 0.542036 0.934239
H -0.228751 0.965359 0.600553
H -3.560368 1.060022 0.605268
H -3.673908 1.339911 -1.141115
H 2.700616 2.751254 1.476560
H 1.785730 2.610067 -0.068314
H -2.362063 -3.201437 -0.561594
H 4.000877 -0.081671 -2.471405
H -1.726538 2.765570 0.833064
H -1.725937 3.031815 -0.943482
H -3.147592 3.479305 0.036210
H -0.155345 0.857896 3.070960
H -0.268213 -0.937978 3.147043
H -1.572975 0.068134 3.881758
H 4.191854 2.302676 -0.931541


