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	hartrees
Energy at 0K	-100.403536
Energy at 298.15K	-100.403525
HF Energy	-100.403536
Nuclear repulsion energy	5.016715

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.095
H2	0.000	0.000	-0.854

	F1	H2
F1		0.9493
H2	0.9493

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.434
2	H	0.434

	x	y	z	Total
	0.000	0.000	-2.150	2.150
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/6-31G

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>	3.790
(<r²>)^1/2	1.947