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	hartrees
Energy at 0K	-100.433189
Energy at 298.15K	-100.433177
HF Energy	-100.433189
Nuclear repulsion energy	5.179807

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.092
H2	0.000	0.000	-0.828

	F1	H2
F1		0.9195
H2	0.9195

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.327
2	H	0.327

	x	y	z	Total
	0.000	0.000	-1.729	1.729
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/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>	3.724
(<r²>)^1/2	1.930