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	hartrees
Energy at 0K	-176.921620
Energy at 298.15K	-176.920947
HF Energy	-176.921620
Nuclear repulsion energy	8.075388

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	0.769
Be2	0.000	0.000	-2.114

	Na1	Be2
Na1		2.8833
Be2	2.8833

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.036
2	Be	-0.036

	x	y	z	Total
	0.000	0.000	1.550	1.550
CHELPG
AIM
ESP

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

using model chemistry: M06-2X/cc-pVDZ

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>	35.654
(<r²>)^1/2	5.971