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	hartrees
Energy at 0K	-89.859620
Energy at 298.15K	-89.858704
HF Energy	-89.859620
Nuclear repulsion energy	12.782139

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.883
O2	0.000	0.000	0.442

	Be1	O2
Be1		1.3248
O2	1.3248

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	-0.011
2	O	0.011

	x	y	z	Total
	0.000	0.000	-5.803	5.803
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/6-31G(2df,p)

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>	9.692
(<r²>)^1/2	3.113