%chk=000095135.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000095135 0 1 Br -5.417000 -2.342500 0.1821000 Br 5.995400 -1.182400 -3.1399999E-02 Br -0.4290000 5.449700 0.5391000 O -1.561500 -1.133400 0.5218000 O 1.955300 -1.026000 -0.3903000 O -0.4560000 1.409300 0.1521000 O -2.820800 -1.881000 -1.256500 O 3.359400 -1.497500 1.374000 O -0.5430000 3.134800 -1.371600 C -0.4421000 -0.9515000 -0.3484000 C 0.8259000 -1.189800 0.4610000 C -0.4856000 0.4641000 -0.9123000 C -2.701200 -1.609700 -7.0299998E-02 C 3.180700 -1.210200 0.1990000 C -0.4902000 2.729900 -0.2191000 C -3.760500 -1.736700 0.9885000 C 4.243400 -0.9997000 -0.8430000 C -0.4531000 3.572400 1.025200 H -0.4564000 -1.667600 -1.180200 H 0.8134000 -2.209900 0.8651000 H 0.8873000 -0.5003000 1.312000 H -1.417000 0.6075000 -1.472900 H 0.3601000 0.6396000 -1.587300 H -3.966800 -0.7669000 1.445800 H -3.474000 -2.482600 1.732400 H 4.187100 1.1000000E-02 -1.252000 H 4.171000 -1.757800 -1.625100 H 0.4590000 3.380000 1.593600 H -1.348300 3.407900 1.628000 %chk=000095135-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000095135 0 1 Br -5.067122 -0.670677 1.113107 Br 4.858583 -1.201003 -1.608451 Br 1.204085 2.966452 2.007481 O -1.669304 -1.459880 0.649116 O 1.772496 -0.551559 -0.207741 O -0.816805 1.283127 -0.292668 O -2.825621 -2.505846 -1.093369 O 3.192329 -0.473233 1.641708 O 0.914760 2.255428 -1.544695 C -0.532121 -1.176201 -0.278869 C 0.672431 -1.039260 0.658001 C -0.805259 0.062672 -1.140071 C -2.770426 -2.118841 0.094035 C 2.988022 -0.280059 0.425646 C 0.114588 2.282075 -0.584899 C -3.855370 -2.292435 1.134723 C 3.972317 0.296005 -0.569340 C 0.002057 3.397764 0.433733 H -0.421756 -2.034924 -0.967646 H 0.948223 -2.006365 1.110744 H 0.478639 -0.304850 1.458113 H -1.797367 -0.004513 -1.613134 H -0.018367 0.162783 -1.907335 H -3.449500 -2.348336 2.153023 H -4.498060 -3.145893 0.884067 H 4.784420 0.815608 -0.046123 H 3.471934 0.927333 -1.316531 H -1.011502 3.483502 0.845820 H 0.379196 4.341822 0.020854