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	hartrees
Energy at 0K	-100.451061
Energy at 298.15K	-100.451049
HF Energy	-100.356542
Nuclear repulsion energy	5.175464

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

	F1	H2
F1		0.9202
H2	0.9202

Number	Element	Mulliken	CHELPG	AIM	ESP
1	F	-0.432
2	H	0.432

	x	y	z
x	0.779	0.000	0.000
y	0.000	0.779	0.000
z	0.000	0.000	0.965

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

using model chemistry: B2PLYP/aug-cc-pVQZ

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>	3.942
(<r²>)^1/2	1.985