-4058.40654827	-4058.17697423	-4058.17440953	-4058.50254734	-4058.49852362
The required energies are:

        cation - neutral = 6.25 
	cation_v - neutral = 6.32 
	
	neutral - anion = 2.61 
	neutral - anion_v = 2.50 

	gap = 3.81