-846.718448960	-846.490042089	-846.488274823	-846.774859212	-846.772383761
The required energies are:

        cation - neutral = 6.22 
	cation_v - neutral = 6.26 
	
	neutral - anion = 1.54 
	neutral - anion_v = 1.47 

	gap = 4.80