%chk=000104942.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000104942 0 1 Br 3.660100 -2.815400 0.7551000 Br -3.660100 -2.815500 -0.7551000 Br 3.658400 2.816100 -0.7546000 Br -3.658300 2.816200 0.7546000 Br 5.428200 7.9999998E-04 9.9999997E-05 Br -5.428200 8.9999998E-04 -9.9999997E-05 C 0.7235000 -6.0000003E-04 -6.0000003E-04 C -0.7235000 -6.0000003E-04 5.0000002E-04 C 1.420600 1.166300 -0.3136000 C -1.420600 1.166300 0.3137000 C 1.421100 -1.167100 0.3128000 C -1.421200 -1.167100 -0.3127000 C 2.816000 -1.166700 0.3130000 C -2.816100 -1.166700 -0.3129000 C 2.815500 1.166500 -0.3136000 C -2.815500 1.166600 0.3135000 C 3.513200 9.9999997E-05 -1.9999999E-04 C -3.513200 0.000000 1.9999999E-04 H 0.8995000 2.078500 -0.5943000 H -0.8995000 2.078500 0.5942000 H 0.9004000 -2.079500 0.5936000 H -0.9004000 -2.079500 -0.5935000 %chk=000104942-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000104942 0 1 Br 3.767128 -2.829477 0.840341 Br -3.767159 -2.829472 -0.840261 Br 3.767003 2.829313 -0.840678 Br -3.766992 2.829361 0.840611 Br 5.551505 -0.000067 -0.000259 Br -5.551513 -0.000011 0.000268 C 0.744635 -0.000110 -0.000034 C -0.744645 -0.000108 0.000041 C 1.470568 1.168661 -0.341515 C -1.470567 1.168677 0.341496 C 1.470620 -1.168875 0.341365 C -1.470637 -1.168877 -0.341326 C 2.878520 -1.166675 0.339853 C -2.878540 -1.166664 -0.339806 C 2.878470 1.166480 -0.340156 C -2.878468 1.166514 0.340131 C 3.614468 -0.000091 -0.000193 C -3.614476 -0.000061 0.000200 H 0.944222 2.077164 -0.645869 H -0.944208 2.077181 0.645829 H 0.944320 -2.077373 0.645814 H -0.944352 -2.077390 -0.645752