Table 1. Collected Experimental and Calculated Spectroscopic Parameters for (^tBuL)MnI and (^tBuL)MnH.

	(tBuL)MnI		(tBuL)MnH
parameter	expt.	DFT	expt.	DFT
g	2.0a	[2.002, 2.009, 2.011]	2.0a	[2.001, 2.002, 2.002]
D(MHz; cm–1)	24,000; 0.83	105,000; 3.5	7600; 0.25	5850; 0.20
E/D	0.03	0.05	0.15	0.11
A(55Mn) (MHz)	–250a	–[88.9, 92.0, 92.9]	–250a	–[167, 176, 190]
A(1H) (MHz)			[−34.6, −34.6, 6.5]	[−34.2, −34.0, 7.4]

^aParameter assumed and not refined in EPR simulations.