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	hartrees
Energy at 0K	-6920.555223
Energy at 298.15K
HF Energy	-6920.555223
Nuclear repulsion energy	17.163797

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.030
H2	0.000	0.000	-1.604

	I1	H2
I1		1.6340
H2	1.6340

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	-0.140
2	H	0.140

	x	y	z	Total
	0.000	0.000	-0.784	0.784
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-311G*

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>	20.489
(<r²>)^1/2	4.526