-2899.36374717	-2899.11931088	-2899.11625233	-2899.44273964 -2899.43718925
The required energies are:

        cation - neutral = 6.65 
	cation_v - neutral = 6.73 
	
	neutral - anion = 2.15 
	neutral - anion_v = 2.00 

	gap = 4.74