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	hartrees
Energy at 0K	-99.504014
Energy at 298.15K	-99.502826
HF Energy	-99.504014
Nuclear repulsion energy	17.581726

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.741
O2	0.000	0.000	0.463

	B1	O2
B1		1.2039
O2	1.2039

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.052
2	O	-0.052

	x	y	z	Total
	0.000	0.000	-2.198	2.198
CHELPG
AIM
ESP

All results from a given calculation for BO (boron monoxide)

using model chemistry: LSDA/Def2TZVPP

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>	11.004
(<r²>)^1/2	3.317