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	hartrees
Energy at 0K	-100.385270
Energy at 298.15K	-100.385258
HF Energy	-100.385270
Nuclear repulsion energy	5.187011

Atom	x (Å)	y (Å)	z (Å)
F1	0.000	0.000	0.092
H2	0.000	0.000	-0.826

	F1	H2
F1		0.9182
H2	0.9182

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.317
2	H	0.317

	x	y	z	Total
	0.000	0.000	-1.828	1.828
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/cc-pVTZ

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>	3.835
(<r²>)^1/2	1.958