-45703.1212230  -45702.9041606  -45702.9008958	-45703.2430632  -45703.2409639
The required energies are:

        cation - neutral = 5.91 
	cation_v - neutral = 6.00 
	
	neutral - anion = 3.32 
	neutral - anion_v = 3.26 

	gap = 2.74