%chk=000112470.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000112470 0 1 Br -2.219200 -1.145200 -0.6668000 Br 2.220700 -1.143300 0.6665000 C -0.6148000 -0.8892000 0.4529000 C 0.6158000 -0.8882000 -0.4532000 C -0.7836000 0.3913000 1.280000 C 0.7834000 0.3928000 -1.279700 C -0.3474000 1.640600 0.5733000 C 0.3451000 1.641200 -0.5728000 H -0.6286000 -1.762600 1.114800 H 0.6306000 -1.761300 -1.115500 H -0.1839000 0.3093000 2.195100 H -1.823400 0.5109000 1.607200 H 0.1842000 0.3103000 -2.195200 H 1.823100 0.5139000 -1.606500 H -0.6129000 2.590100 1.029400 H 0.6092000 2.591200 -1.028900 %chk=000112470-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000112470 0 1 Br -2.248298 -1.087545 -0.794846 Br 2.249673 -1.085204 0.794452 C -0.610704 -0.874531 0.460834 C 0.611819 -0.873622 -0.461142 C -0.762872 0.395231 1.309980 C 0.762480 0.396647 -1.309802 C -0.347468 1.657990 0.583477 C 0.345364 1.658624 -0.582918 H -0.669941 -1.793754 1.061806 H 0.672152 -1.792541 -1.062469 H -0.130781 0.265050 2.215064 H -1.803776 0.473399 1.672948 H 0.130705 0.265989 -2.215036 H 1.803342 0.476277 -1.672580 H -0.618563 2.609327 1.058057 H 0.615169 2.610464 -1.057228