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	hartrees
Energy at 0K	-6891.653415
Energy at 298.15K
HF Energy	-6891.653415
Nuclear repulsion energy	17.106411

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.030
H2	0.000	0.000	-1.609

	I1	H2
I1		1.6395
H2	1.6395

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	-0.137
2	H	0.137

	x	y	z	Total
	0.000	0.000	-0.624	0.624
CHELPG
AIM
ESP

All results from a given calculation for HI (Hydrogen iodide)

using model chemistry: mPW1PW91/3-21G*

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>	20.406
(<r²>)^1/2	4.517