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	hartrees
Energy at 0K	-98.828138
Energy at 298.15K	-98.828126
HF Energy	-98.828138
Nuclear repulsion energy	4.735633

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.101
H2	0.000	0.000	-0.905

	F1	H2
F1		1.0057
H2	1.0057

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.158
2	H	0.158

	x	y	z	Total
	0.000	0.000	-1.085	1.085
CHELPG
AIM
ESP

All results from a given calculation for HF (Hydrogen fluoride)

using model chemistry: PBEPBEultrafine/STO-3G

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>	3.584
(<r²>)^1/2	1.893