Hs5017wiki

What do we expect to see for EACH molecule on your wiki-report page?

   We expect to see:
       key information about the calculation, such as method (eg B3LYP) basis set (eg 6-31G(d,p) and symmetry (eg C3v)
       the Item table copied and pasted into your wiki
       a rotatable 3d jmol file/image of the optimised structure
       a link to the final file of the optimisation/frequency