%chk=\\icnas3.cc.ic.ac.uk\hyt215\Desktop\Introduction to Molecular Modelling 2\n2_optf_pop.chk # opt freq b3lyp/6-31g(d,p) geom=connectivity integral=grid=ultrafine pop=(full,nbo) Title Card Required 0 1 N 0.00000000 0.00000000 0.54600000 N -0.00000000 0.00000000 -0.54600000 1 2 3.0 2