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	hartrees
Energy at 0K	-89.914219
Energy at 298.15K	-89.913302
HF Energy	-89.914219
Nuclear repulsion energy	12.644607

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.893
O2	0.000	0.000	0.446

	Be1	O2
Be1		1.3392
O2	1.3392

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	0.111
2	O	-0.111

	x	y	z	Total
	0.000	0.000	-6.437	6.437
CHELPG
AIM
ESP

All results from a given calculation for BeO (beryllium oxide)

using model chemistry: B3LYPultrafine/aug-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>	10.021
(<r²>)^1/2	3.166