%chk=000114085.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114085

0 1
Br -2.166291 1.916028 2.631087
Br -4.814409 -0.667630 -3.792916
O 1.296883 -1.501149 0.894233
O 0.333735 0.364371 2.604427
O -6.138945 1.049598 0.898028
N 2.911089 0.784268 1.074271
C -2.515191 0.199595 0.263677
C -1.918417 -0.595994 -0.763838
C -3.894172 0.571969 0.086009
C -0.608603 -1.157596 -0.599084
C 0.093209 -0.885395 0.537499
C -1.686283 0.568858 1.376108
C -0.419752 0.029591 1.531442
C -2.613528 -0.863764 -1.981897
C -4.535413 0.329946 -1.114314
C -4.736105 1.180829 1.184287
C -3.881853 -0.373397 -2.151792
C 2.354497 -1.334819 -0.015116
C 3.201104 -0.178451 0.116165
C 4.325937 -0.077156 -0.749543
C 2.618052 -2.330517 -0.923604
C 4.584015 -1.118470 -1.693474
C 3.757790 -2.213324 -1.769901
C 5.156458 1.083132 -0.621885
C 4.852861 2.035638 0.316410
C 3.708122 1.844724 1.160862
H -0.199837 -1.803044 -1.376536
H -2.116673 -1.448633 -2.757414
H -5.567881 0.677191 -1.257015
H -4.545729 0.711579 2.168288
H -4.613515 2.283862 1.235384
H 1.975179 -3.208315 -0.991137
H 5.450975 -1.026453 -2.347943
H 3.956698 -3.014505 -2.483325
H 6.021313 1.187900 -1.278396
H 1.305599 0.076362 2.460532
H 5.457844 2.932288 0.440121
H 3.457956 2.595926 1.923312
H -6.411922 0.110054 0.949488


%chk=000114085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114085

0 1
Br -1.902036 2.274513 2.214144
Br -5.510083 -1.590395 -3.288308
O 1.298192 -1.567923 0.525792
O 0.576243 0.669652 2.072235
O -6.194436 1.513417 0.884149
N 2.979486 0.569552 1.222782
C -2.623852 0.177833 0.165271
C -2.171289 -0.877723 -0.742941
C -4.015202 0.594031 0.047189
C -0.852034 -1.418927 -0.632594
C 0.032200 -0.929946 0.310525
C -1.630890 0.690277 1.079220
C -0.321151 0.163360 1.184172
C -3.035164 -1.407307 -1.755260
C -4.816700 0.070046 -0.978980
C -4.731283 1.540909 1.025749
C -4.322334 -0.909345 -1.877212
C 2.418546 -1.266611 -0.278576
C 3.308262 -0.212739 0.128516
C 4.533098 0.002779 -0.609760
C 2.740729 -2.070369 -1.374140
C 4.829146 -0.827283 -1.738057
C 3.945202 -1.842557 -2.109875
C 5.401649 1.049139 -0.158221
C 5.050450 1.817492 0.954046
C 3.816195 1.547674 1.618099
H -0.554332 -2.246233 -1.284869
H -2.660873 -2.193433 -2.417655
H -5.843953 0.433768 -1.065259
H -4.444556 1.300094 2.066034
H -4.463767 2.593011 0.839496
H 2.067989 -2.888680 -1.647818
H 5.756490 -0.661006 -2.297258
H 4.172551 -2.483462 -2.967723
H 6.337915 1.236947 -0.695719
H 1.604718 0.494062 1.791481
H 5.694185 2.621647 1.320057
H 3.495819 2.142191 2.479606
H -6.530333 0.626639 1.174163


