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	hartrees
Energy at 0K	-100.434997
Energy at 298.15K	-100.434986
HF Energy	-100.434997
Nuclear repulsion energy	5.174962

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

	F1	H2
F1		0.9203
H2	0.9203

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.269
2	H	0.269

	x	y	z	Total
	0.000	0.000	-1.808	1.808
CHELPG
AIM
ESP

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

using model chemistry: B1B95/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>	3.981
(<r²>)^1/2	1.995