Table 1. Coefficients of the y = ax² + bx + c Equations for the ³∑_g^– and ³∏_u Electronic State System Employing the Total Energy, E (in Ha), and the Free Gibbs Energy, G (in Ha).

	E		G
	3∑g–	3∏u	3∑g–	3∏u
A	0.11853	0.07440	0.11557	0.05711
b	–0.59468	–0.41265	–0.58337	–0.32101
c	–483.876	–484.049	–483.795	–484.079