%chk=\\icnas2.cc.ic.ac.uk\vsj17\Desktop\Chemistry\Year 2\Term 3\Computational Lab Physical\Inorganic Comp Lab\VSSJ_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 1.19230700 0.00000000 H -1.03256800 -0.59615300 0.00000000 H 1.03256800 -0.59615300 0.00000000 1 2 1.0 3 1.0 4 1.0 2 3 4