%chk=\\icnas2.cc.ic.ac.uk\lr717\Desktop\3rdyearlab\laurinrupp_bh3_freq.chk # freq b3lyp/6-31g(d,p) pop=(nbo,full) geom=connectivity BH3 frequency and MOs 0 1 B 0.00000000 0.00000000 0.00000000 H 0.00000000 1.19266200 0.00000000 H 1.03287600 -0.59633100 0.00000000 H -1.03287600 -0.59633100 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4