%chk=D:\Computational Lab\3rdyearlab\jc808_tlbr3_freq.chk # freq b3lyp/lanl2dz pop=(nbo,full) geom=connectivity TlBr3 frequency 0 1 Tl 0.00000000 0.00000000 0.00000000 Br 0.00000000 2.69000000 0.00000000 Br 2.32960800 -1.34500000 0.00000000 Br -2.32960800 -1.34500000 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4