%chk=000181367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181367

0 1
Br -4.225845 -2.852801 2.413747
O 0.069507 1.372016 -0.926536
C 2.246852 0.634340 -0.436409
C 1.051331 1.423108 0.151353
C 3.466597 0.780153 0.493142
C 1.398303 2.895148 0.421650
C 3.820672 2.251466 0.739160
C 2.627001 3.014572 1.328279
C 1.870004 -0.845891 -0.631578
C 2.833432 -1.570447 -1.580251
C -1.275669 1.717275 -0.566031
C 2.447967 -3.009466 -1.760896
C -1.975273 0.608294 0.178661
C 3.314104 -4.019464 -1.707978
C -1.579180 -0.723630 -0.005902
C -3.047480 0.904783 1.032292
C -2.241984 -1.758428 0.656703
C -3.721235 -0.123661 1.698474
C -3.308556 -1.443001 1.502059
H 2.485716 1.081032 -1.433519
H 0.630704 0.929450 1.050214
H 4.332794 0.253110 0.049702
H 3.268907 0.274819 1.458075
H 0.534975 3.413212 0.876767
H 1.581445 3.406370 -0.544601
H 4.139368 2.726326 -0.208915
H 4.688161 2.320747 1.421802
H 2.391696 2.624743 2.337573
H 2.889452 4.080344 1.466492
H 1.839346 -1.368212 0.343359
H 0.830597 -0.898379 -1.038154
H 3.872932 -1.479367 -1.204723
H 2.834099 -1.072410 -2.573976
H -1.740581 1.870979 -1.564147
H -1.288159 2.671216 -0.009199
H 1.387182 -3.178196 -1.957120
H 3.029468 -5.050699 -1.855012
H 4.369503 -3.899386 -1.515148
H -0.730832 -0.938419 -0.673448
H -3.363872 1.936017 1.181962
H -1.928986 -2.792935 0.511138
H -4.555662 0.109068 2.360940


%chk=000181367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181367

0 1
Br -4.173169 -2.427079 3.158593
O 0.022033 1.220072 -1.182511
C 2.283542 0.625884 -0.530452
C 0.985662 1.323511 -0.056005
C 3.376987 0.763786 0.565138
C 1.231749 2.797529 0.333598
C 3.627424 2.233057 0.976908
C 2.316555 2.912627 1.431080
C 2.021317 -0.851426 -0.918749
C 3.241569 -1.560154 -1.567231
C -1.367875 1.563605 -0.853704
C 2.877238 -2.911039 -2.146466
C -2.023236 0.604879 0.134768
C 3.441064 -4.096325 -1.801756
C -1.867225 -0.797003 -0.013711
C -2.822859 1.090461 1.196937
C -2.496132 -1.697931 0.872398
C -3.466599 0.204925 2.093559
C -3.292380 -1.181685 1.916940
H 2.626654 1.168268 -1.439063
H 0.576866 0.770040 0.820443
H 4.319536 0.310317 0.205265
H 3.064727 0.180622 1.457788
H 0.292762 3.266636 0.686604
H 1.553172 3.346915 -0.573987
H 4.047199 2.790131 0.114009
H 4.382746 2.276651 1.785359
H 1.954573 2.427524 2.361281
H 2.493496 3.977776 1.674594
H 1.703978 -1.421877 -0.021046
H 1.174698 -0.873292 -1.630557
H 4.061726 -1.683368 -0.835098
H 3.628357 -0.906551 -2.379106
H -1.877703 1.515825 -1.833644
H -1.449784 2.605679 -0.481103
H 2.077867 -2.901483 -2.905685
H 3.125460 -5.040312 -2.260639
H 4.236926 -4.154842 -1.048303
H -1.237833 -1.181816 -0.823603
H -2.950380 2.171258 1.334370
H -2.369148 -2.777576 0.751432
H -4.082759 0.589576 2.911360


