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	hartrees
Energy at 0K	-176.810124
Energy at 298.15K	-176.809456
HF Energy	-176.810124
Nuclear repulsion energy	8.036590

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.773
Be2	0.000	0.000	-2.125

	Na1	Be2
Na1		2.8972
Be2	2.8972

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.013
2	Be	-0.013

	x	y	z	Total
	0.000	0.000	1.945	1.945
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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>	35.896
(<r²>)^1/2	5.991