%chk=\\icnas1.cc.ic.ac.uk\bpw16\2nd Year Computational\BPW16_BH3_freq_OPT_631G.chk # freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivity BH3 freq and MOs 0 1 B 0.00000000 0.00000000 0.00000000 H 0.00000000 1.19230500 0.00000000 H 1.03256600 -0.59615200 0.00000000 H -1.03256600 -0.59615200 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4