-693.100735035	-692.858303162	-692.856209060	-693.142064808	-693.139073941
The required energies are:

        cation - neutral = 6.60 
	cation_v - neutral = 6.65 
	
	neutral - anion = 1.12 
	neutral - anion_v = 1.04 

	gap = 5.61