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	hartrees
Energy at 0K	-299.923432
Energy at 298.15K	-299.923549
HF Energy	-299.923432
Nuclear repulsion energy	31.832236

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	0.769
F2	0.000	0.000	-1.026

	Mg1	F2
Mg1		1.7954
F2	1.7954

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Mg	0.429
2	F	-0.429

	x	y	z	Total
	0.000	0.000	2.570	2.570
CHELPG
AIM
ESP

All results from a given calculation for MgF (Magnesium monofluoride)

using model chemistry: B97D3/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	26.645
(<r²>)^1/2	5.162