-54012.4616841	-54012.2492516	-54012.2461800	-54012.5891934	-54012.5874195
The required energies are:

        cation - neutral = 5.78 
	cation_v - neutral = 5.86 
	
	neutral - anion = 3.47 
	neutral - anion_v = 3.42 

	gap = 2.44