%chk=000269392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269392

0 1
Br 6.251928 -0.518629 -0.000268
C -2.199625 0.316430 0.000377
C -0.740892 0.033964 0.000208
C -2.883148 -0.945614 -0.000220
C -0.630586 -1.454474 -0.000457
C -1.861739 -2.014605 -0.000738
C 0.256403 0.925732 0.000563
C -2.908982 1.503029 0.000964
C -4.265348 -1.001673 -0.000226
C 1.685095 0.562339 0.000348
C -4.317853 1.438226 0.000958
C -4.980749 0.213048 0.000374
C 2.367611 0.397207 1.216081
C 2.368398 0.401930 -1.215576
C 3.727300 0.075145 1.219327
C 3.728081 0.079858 -1.219192
C 4.390626 -0.078967 -0.000021
H 0.326765 -1.946766 -0.000665
H -2.117108 -3.059567 -0.001226
H 0.061611 2.001797 0.001020
H -2.404646 2.465883 0.001416
H -4.792893 -1.951922 -0.000676
H -4.890764 2.364248 0.001419
H -6.069738 0.186553 0.000387
H 1.834776 0.517909 2.159086
H 1.836175 0.526279 -2.158452
H 4.256505 -0.052757 2.164614
H 4.257895 -0.044403 -2.164623


%chk=000269392-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269392

0 1
Br 6.480253 -0.099487 0.046177
C -2.222310 0.195075 -0.057767
C -0.785167 -0.189470 0.047806
C -3.008043 -0.915516 0.399302
C -0.778761 -1.573101 0.571954
C -2.079640 -1.997601 0.770346
C 0.264799 0.625777 -0.325461
C -2.847988 1.380946 -0.481731
C -4.414574 -0.840711 0.425935
C 1.711397 0.412683 -0.201184
C -4.265694 1.454213 -0.457923
C -5.039838 0.356208 -0.008979
C 2.311026 -0.465358 0.751439
C 2.582133 1.158926 -1.051276
C 3.709589 -0.617138 0.828206
C 3.982009 1.011105 -0.994255
C 4.533093 0.114858 -0.054345
H 0.112312 -2.184155 0.713390
H -2.386012 -2.984740 1.124814
H -0.009741 1.577237 -0.805795
H -2.265186 2.243209 -0.826992
H -5.017667 -1.685919 0.776130
H -4.767286 2.370073 -0.789658
H -6.132706 0.435419 0.003121
H 1.685393 -0.996445 1.473274
H 2.151369 1.855441 -1.780386
H 4.152611 -1.285112 1.572496
H 4.629724 1.583782 -1.663836


