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	hartrees
Energy at 0K	-114.590281
Energy at 298.15K	-114.589375
HF Energy	-114.590281
Nuclear repulsion energy	13.632822

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.967
F2	0.000	0.000	0.430

	Be1	F2
Be1		1.3974
F2	1.3974

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	0.369
2	F	-0.369

	x	y	z	Total
	0.000	0.000	-1.328	1.328
CHELPG
AIM
ESP

All results from a given calculation for BeF (Beryllium monofluoride)

using model chemistry: mPW1PW91/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>	12.169
(<r²>)^1/2	3.488