%chk=000078831.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000078831 0 1 Br 3.271500 8.9999998E-04 -9.9999997E-05 C -1.424500 -3.0000001E-04 1.9999999E-04 C -0.7274000 1.207900 9.9999997E-05 C -0.7268000 -1.208200 1.9999999E-04 C 0.6674000 1.208100 -9.9999997E-05 C 0.6681000 -1.208000 9.9999997E-05 C 1.365300 3.0000001E-04 0.000000 C -2.920800 -6.9999998E-04 -1.9999999E-04 C -1.478800 2.502100 1.9999999E-04 C -1.477700 -2.502800 -3.0000001E-04 C 1.391200 2.519700 -1.9999999E-04 C 1.392500 -2.519100 9.9999997E-05 H -3.339100 -0.8590000 0.5351000 H -3.339500 0.8573000 0.5354000 H -3.301200 -6.0000003E-04 -1.026400 H -1.696400 2.815500 1.026000 H -0.9385000 3.306100 -0.5091000 H -2.416900 2.436700 -0.5606000 H -0.9367000 -3.306600 -0.5092000 H -1.695800 -2.816300 1.025500 H -2.415400 -2.437700 -0.5616000 H 2.393500 2.475400 0.4312000 H 1.472200 2.906000 -1.021500 H 0.8845000 3.262000 0.6263000 H 1.474000 -2.905400 -1.021200 H 2.394700 -2.474300 0.4318000 H 0.8860000 -3.261700 0.6264000 %chk=000078831-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000078831 0 1 Br 3.356047 0.000856 -0.006063 C -1.443203 -0.000343 0.009233 C -0.735134 1.235328 -0.007872 C -0.734541 -1.235661 -0.007939 C 0.694051 1.252827 0.012041 C 0.694653 -1.252496 0.011940 C 1.360568 0.000328 0.021131 C -2.966196 -0.000789 0.055474 C -1.503765 2.550485 -0.058620 C -1.502616 -2.551142 -0.058620 C 1.430934 2.582149 0.033850 C 1.432144 -2.581485 0.033660 H -3.355966 -0.888105 0.580432 H -3.356535 0.886295 0.580389 H -3.408706 -0.000967 -0.961501 H -1.832690 2.871654 0.950455 H -0.895076 3.366196 -0.478170 H -2.408512 2.462347 -0.683779 H -0.893662 -3.366581 -0.478315 H -1.831228 -2.872493 0.950500 H -2.407522 -2.463346 -0.683600 H 2.494518 2.455554 0.281931 H 1.380524 3.085060 -0.951880 H 0.989087 3.269104 0.777006 H 1.381789 -3.084443 -0.952049 H 2.495709 -2.454411 0.281561 H 0.990729 -3.268622 0.776907