%chk=000117088.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000117088 0 1 Br 2.136000 1.834400 0.1676000 Br -5.401900 -2.764300 0.1639000 Br 5.687000 -2.445500 1.141900 Br -2.450100 1.985300 0.9411000 Br 8.310200 -0.5696000 0.1743000 Br -5.184100 3.855600 0.3374000 Br 4.682600 3.802200 -0.8216000 Br -8.199200 -0.9965000 -0.4572000 Br 7.786400 2.575700 -0.8113000 Br -8.071900 2.337200 -0.3648000 O 3.116600 -0.8966000 0.9557000 O -3.075500 -0.9490000 0.7408000 O 1.513600 -2.349600 0.4189000 O -1.227700 -1.970600 -2.8700000E-02 O 2.893400 -1.586500 -1.262500 O -2.585600 -0.8804000 -1.539000 C 4.189500 -9.8700002E-02 0.5496000 C -4.198700 -0.2103000 0.4922000 C 0.8046000 -3.152000 -0.5176000 C -0.3444000 -2.345000 -1.090800 C 3.942000 1.197700 0.1472000 C -5.403000 -0.8496000 0.1991000 C 5.461600 -0.6336000 0.5641000 C -4.140000 1.182900 0.5316000 C 6.532700 0.1626000 0.1588000 C -5.285900 1.936700 0.2778000 C 5.013100 1.994100 -0.2582000 C -6.549000 -9.6000001E-02 -5.4800000E-02 C 6.308500 1.476600 -0.2524000 C -6.490600 1.297200 -1.5200000E-02 C 2.544300 -1.609100 -8.9000002E-02 C -2.314300 -1.235400 -0.3989000 H 1.460200 -3.537400 -1.306400 H 0.4168000 -4.012700 3.7799999E-02 H -0.8920000 -2.949700 -1.822100 H 3.0700000E-02 -1.435200 -1.573100 %chk=000117088-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000117088 0 1 Br 1.101265 1.023236 -1.261517 Br -5.451355 -1.539062 -1.889100 Br 5.086718 -1.198357 2.172464 Br -1.679533 0.064923 2.101082 Br 7.322706 1.220157 1.257982 Br -3.203392 3.104456 2.410420 Br 3.252792 3.483496 -2.279330 Br -7.069326 1.461795 -1.655459 Br 6.378868 3.562556 -0.990449 Br -5.916354 3.784432 0.512471 O 2.386402 -0.775848 0.841252 O -3.149156 -1.718559 0.089865 O 1.139105 -2.608011 0.673511 O -1.587703 -3.175126 -0.504587 O 2.748163 -2.221040 -0.996860 O -1.458333 -0.999045 -1.395567 C 3.320244 0.169479 0.354187 C -3.726255 -0.428772 0.133160 C 0.718902 -3.858097 -0.020804 C -0.292876 -3.571180 -1.125593 C 2.907827 1.142790 -0.586480 C -4.858497 -0.157975 -0.667892 C 4.623241 0.185738 0.899495 C -3.232465 0.532207 1.046789 C 5.536800 1.194821 0.502795 C -3.881222 1.787931 1.159165 C 3.819159 2.150776 -0.990273 C -5.513940 1.094355 -0.557623 C 5.133305 2.177948 -0.444032 C -5.023302 2.068215 0.357061 C 2.148143 -1.912549 0.046882 C -1.983536 -1.873905 -0.687801 H 1.605085 -4.360340 -0.449087 H 0.271255 -4.465123 0.779657 H -0.507668 -4.498540 -1.682646 H 0.050831 -2.782881 -1.816934