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	hartrees
Energy at 0K	-297.242632
Energy at 298.15K
HF Energy	-297.242632
Nuclear repulsion energy	8.281661

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.030
H2	0.000	0.000	-1.568

	I1	H2
I1		1.5974
H2	1.5974

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	-0.033
2	H	0.033

	x	y	z	Total
	0.000	0.000	-0.560	0.560
CHELPG
AIM
ESP

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

using model chemistry: ROHF/Def2TZVPP

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>	19.573
(<r²>)^1/2	4.424