%chk=000288881.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288881

0 1
Br 3.312582 0.318671 2.159046
O 2.522504 2.384294 -0.510628
C 3.163430 0.170142 0.158573
C 4.522511 0.482962 -0.468458
C 2.659771 -1.224512 -0.205890
C 5.559823 -0.610788 -0.195987
C 3.708716 -2.311274 0.063661
C 5.042144 -1.990180 -0.622807
C 2.145990 1.285828 -0.181349
C 0.694817 0.923306 -0.108903
C 0.011878 0.945422 1.112145
C 0.017571 0.595755 -1.292134
C -2.026859 0.277956 -0.024963
C -1.345908 0.618701 1.153767
C -1.338525 0.271362 -1.250003
C -3.465083 -0.068839 0.019959
C -3.909497 -1.125810 0.829840
C -4.388679 0.658940 -0.746817
C -5.267630 -1.451822 0.867834
C -5.745892 0.330281 -0.700648
C -6.187034 -0.724968 0.104479
H 4.895040 1.467539 -0.111868
H 4.386760 0.608579 -1.564306
H 2.386325 -1.233536 -1.282714
H 1.724679 -1.464288 0.342287
H 5.822514 -0.623712 0.881438
H 6.498206 -0.373349 -0.732223
H 3.326495 -3.288898 -0.286005
H 3.866228 -2.420245 1.156177
H 4.920821 -2.025238 -1.722193
H 5.789983 -2.766578 -0.373633
H 0.531019 1.223393 2.031406
H 0.545629 0.601906 -2.245482
H -1.880426 0.638445 2.103522
H -1.866505 0.011251 -2.166994
H -3.194575 -1.693843 1.423109
H -4.046948 1.484099 -1.370262
H -5.610273 -2.273992 1.494324
H -6.461477 0.898578 -1.293075
H -7.244723 -0.979739 0.137476


%chk=000288881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288881

0 1
Br 3.212106 0.752538 1.936095
O 2.385509 1.702629 -1.633001
C 3.211196 0.060267 -0.055735
C 4.582590 0.449410 -0.644564
C 2.998439 -1.470345 -0.062226
C 5.762914 -0.348716 -0.051077
C 4.189009 -2.264201 0.523512
C 5.524938 -1.873188 -0.147682
C 2.061261 0.856572 -0.745900
C 0.606575 0.590182 -0.477738
C 0.080097 -0.053921 0.676567
C -0.314083 1.039730 -1.468122
C -2.227455 0.197714 -0.167016
C -1.306628 -0.238144 0.826459
C -1.695654 0.842391 -1.320713
C -3.693617 -0.003959 -0.000416
C -4.202461 -1.126258 0.711674
C -4.625717 0.921608 -0.548130
C -5.591134 -1.316369 0.870460
C -6.014561 0.733029 -0.389394
C -6.505294 -0.387458 0.320690
H 4.735444 1.536221 -0.541447
H 4.516574 0.254451 -1.735342
H 2.870685 -1.749268 -1.131802
H 2.059437 -1.747331 0.443596
H 5.909633 -0.061376 1.007910
H 6.687702 -0.069021 -0.590642
H 3.992158 -3.345817 0.395042
H 4.251132 -2.073706 1.612344
H 5.503319 -2.176440 -1.215262
H 6.361574 -2.422192 0.324769
H 0.743589 -0.355500 1.491155
H 0.088301 1.539651 -2.354943
H -1.683949 -0.690665 1.749673
H -2.371113 1.165005 -2.120408
H -3.508395 -1.871183 1.117106
H -4.261030 1.812091 -1.072162
H -5.960493 -2.192675 1.414669
H -6.713327 1.464313 -0.810630
H -7.583869 -0.534267 0.444331


