Basically, go with whatever your A level exam boards definition is. You won't be shot for calling Helium atoms monatomic molecules.
But, IUPAC definitions are correct - they're the internationally accepted body that defines these sorts of things (that is, decides what these words precisely mean when used in a scientific context). Only very boring people actually care about these things though, and they have lots of very boring definitions on all sorts of things –*see systematic naming of organic molecules! (Just look at the A-Z of the IUPAC gold book - an enthralling read).