Report why species did not converge

[alongd]

Add the reason the species did not converge to the T3 output:

Species for which thermodynamic data did not converge:
         Label        SMILES                Reason for calculating thermo for this species
         -----        ------                ----------------------------------------------
(FAILED) H2NO3_0      [O-][NH2+]O[O]        ['All core species']
(FAILED) C3H6NO3_1    CC(=COO[NH])O         ['All core species']
(FAILED) C4H7N2O3_2   [N]=CNOOC=C(O)C       ['All core species']
(FAILED) C3H3O3_3     O=[C]CC(=O)O          ['All core species']