%chk=000209947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209947

0 1
Br -6.377236 0.637544 -1.048334
O -0.506495 -0.261086 0.077414
O -3.298378 -1.238209 2.883773
N 2.940669 0.052325 -1.085526
C 3.570961 1.344911 -0.656356
C 3.957935 -1.045746 -1.186290
C 4.642297 1.762580 -1.677198
C 5.036365 -0.658861 -2.212296
C 5.705469 0.669297 -1.838586
C 1.819077 -0.327296 -0.170746
C 0.533449 0.103528 -0.893339
C -1.817214 -0.034619 -0.238084
C -2.749263 -0.406543 0.757518
C -2.233033 0.529213 -1.460605
C -2.411820 -1.011018 2.085103
C -4.114120 -0.193750 0.492721
C -0.961559 -1.316629 2.372986
C -3.590205 0.726386 -1.697456
C -4.522953 0.363270 -0.717223
C -0.769791 -1.980763 3.728639
H 4.019611 1.286445 0.358947
H 2.773032 2.117479 -0.616834
H 3.434086 -1.964502 -1.529609
H 4.432594 -1.281509 -0.209666
H 5.107795 2.713089 -1.359162
H 4.161150 1.960779 -2.656173
H 4.574024 -0.572625 -3.216452
H 5.787877 -1.466118 -2.282332
H 6.435893 0.959925 -2.616371
H 6.283318 0.556395 -0.901897
H 1.869789 0.145483 0.833464
H 1.786197 -1.422282 0.017222
H 0.367377 -0.458039 -1.827266
H 0.485042 1.189172 -1.073747
H -1.511975 0.811374 -2.222800
H -4.845565 -0.477417 1.264612
H -0.551950 -1.957591 1.560858
H -0.373660 -0.373246 2.311887
H -3.920490 1.162293 -2.643880
H -1.307968 -2.936743 3.784492
H 0.286910 -2.172160 3.937470
H -1.171346 -1.355737 4.538526


%chk=000209947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209947

0 1
Br -6.377993 0.877232 -1.094683
O -0.437571 -0.321319 0.133426
O -3.539603 -1.360903 2.858402
N 3.055552 -0.026930 -1.147252
C 3.540018 1.350799 -0.866234
C 4.175526 -1.004366 -1.169964
C 4.563958 1.807046 -1.925427
C 5.216828 -0.621601 -2.241334
C 5.744332 0.812417 -2.006960
C 1.941152 -0.433711 -0.261757
C 0.605057 0.038283 -0.853016
C -1.773300 -0.038554 -0.164522
C -2.772149 -0.411593 0.792783
C -2.152970 0.598698 -1.376355
C -2.538635 -1.093853 2.127007
C -4.132060 -0.125633 0.486371
C -1.130668 -1.456376 2.591401
C -3.505841 0.871521 -1.655740
C -4.487848 0.502412 -0.712925
C -1.107307 -2.131837 3.971972
H 4.013550 1.402516 0.150182
H 2.675096 2.039984 -0.856008
H 3.759358 -2.005344 -1.387915
H 4.683871 -1.062098 -0.171150
H 4.925062 2.822246 -1.671915
H 4.058907 1.865928 -2.908928
H 4.738142 -0.681573 -3.237918
H 6.047914 -1.352410 -2.222564
H 6.442013 1.105210 -2.813830
H 6.317320 0.843289 -1.056937
H 2.045199 -0.036394 0.776234
H 1.919273 -1.535822 -0.184907
H 0.412729 -0.471630 -1.815980
H 0.601722 1.134341 -1.014751
H -1.399144 0.886889 -2.113241
H -4.876419 -0.421539 1.232254
H -0.664794 -2.098644 1.818071
H -0.512676 -0.536960 2.579143
H -3.785051 1.362085 -2.592700
H -1.696766 -3.064781 3.968783
H -0.068596 -2.371688 4.263263
H -1.547291 -1.476340 4.743026


