%chk=000185007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185007

0 1
Br -5.268241 0.110626 1.026801
C -2.754966 -0.384409 -0.349736
C -1.234463 -0.517248 -0.214117
C 0.939617 0.748267 -0.065049
C 1.942499 -0.341721 0.078816
C -0.480005 0.608628 -0.191990
C 1.619280 1.953643 -0.054243
C 1.754506 -1.686044 0.117812
C -0.768401 -1.881807 -0.114819
C 3.243532 0.342619 0.173782
C -3.301933 0.211527 0.951663
C -3.141541 0.447465 -1.574545
C 0.482284 -2.373909 0.023582
C 3.048960 1.689387 0.094802
C 1.071797 3.323552 -0.168495
C 2.928001 -2.614225 0.269934
H -3.197723 -1.407980 -0.485482
H -1.002011 1.576923 -0.285619
H -1.580099 -2.628409 -0.163466
H 4.174901 -0.180629 0.286676
H -2.928833 -0.335385 1.835225
H -3.038267 1.275803 1.067261
H -2.650966 0.066193 -2.478558
H -2.861060 1.501281 -1.472027
H -4.224799 0.417505 -1.750486
H 0.569977 -3.470491 0.074497
H 3.792092 2.464004 0.131415
H 1.311953 3.921447 0.723511
H -0.020054 3.335600 -0.286154
H 1.499299 3.849302 -1.035579
H 3.889785 -2.088169 0.350451
H 3.009499 -3.292915 -0.591224
H 2.829384 -3.233430 1.172962


%chk=000185007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185007

0 1
Br -5.312231 0.266931 1.175142
C -2.788993 -0.361402 -0.321017
C -1.259824 -0.556864 -0.209220
C 0.955105 0.723224 -0.115214
C 1.992249 -0.364524 0.055565
C -0.438122 0.603340 -0.223058
C 1.656576 1.977444 -0.150461
C 1.777490 -1.764111 0.142492
C -0.792770 -1.887836 -0.064876
C 3.251283 0.290026 0.113726
C -3.271810 0.208456 1.029941
C -3.216703 0.503965 -1.528972
C 0.513678 -2.412022 0.083021
C 3.041037 1.696022 -0.010705
C 1.040687 3.346747 -0.309347
C 2.999861 -2.657978 0.314564
H -3.249669 -1.360259 -0.441041
H -0.968109 1.559630 -0.344973
H -1.582738 -2.654528 -0.073239
H 4.219858 -0.196081 0.233129
H -2.964301 -0.420398 1.879040
H -2.956639 1.252230 1.188563
H -2.816507 0.079234 -2.466211
H -2.851654 1.544087 -1.442438
H -4.317178 0.542429 -1.603007
H 0.552382 -3.506834 0.165082
H 3.828835 2.454472 -0.001326
H 0.326473 3.580816 0.504300
H 0.490455 3.448067 -1.265278
H 1.819947 4.127976 -0.295341
H 3.552417 -2.400331 1.237326
H 3.704064 -2.532958 -0.528964
H 2.718855 -3.721970 0.370398


