-539.481839354	-539.219850562	-539.217292108	-539.502286638	-539.498603384
The required energies are:

        cation - neutral = 7.13 
	cation_v - neutral = 7.20 
	
	neutral - anion = 0.56 
	neutral - anion_v = 0.46 

	gap = 6.74