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	hartrees
Energy at 0K	-176.824390
Energy at 298.15K	-176.823716
HF Energy	-176.824390
Nuclear repulsion energy	8.001038

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.776
Be2	0.000	0.000	-2.134

	Na1	Be2
Na1		2.9101
Be2	2.9101

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.049
2	Be	-0.049

	x	y	z	Total
	0.000	0.000	1.833	1.833
CHELPG
AIM
ESP

All results from a given calculation for NaBe (Sodium Beryllium)

using model chemistry: HSEh1PBE/6-31G

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>	36.120
(<r²>)^1/2	6.010