Characters from orbits incorrect

All the worksheets in the GT Calculator files are supported by error detection macros, which trap and delete incorrect data entered into the input cells. For the case of the Characters from Orbits command button worksheet, only integer numbers of orbits may be input for a calculation of the permutation character and its direct sum components though for certain... 

The effect of relativity on the bonding in this molecule is so large that even the qualitative features of the bonding cannot be correctly described by non-relativistic theory which (i) fails to predict any 5d-6s hybridization in the localized bonding orbital (ii) seriously underestimates 5d-6s hybridization in one of the nonbonding orbitals (NBOs) (iii) predicts incorrectly that one of the orbitals with mj 1/2 is entirely tt in character and has pure spin and (iv) erroneously predicts that the bond (in AuH) is formed solely from the interaction between the gold 6s and the hydrogen Is atomic orbitals because the non-relativistic molecular orbital (MO) wavefunction constructed from these two atomic orbitals predicts the AuH molecule to be unbound by 0.19 eV. 

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