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	hartrees
Energy at 0K	-22.350684
Energy at 298.15K
HF Energy	-22.350684
Nuclear repulsion energy	9.243820

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	1.403
I2	0.000	0.000	-1.403

	I1	I2
I1		2.8051
I2	2.8051

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.000
2	I	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for I₂ (Iodine diatomic)

using model chemistry: HF/SDD

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>	53.060
(<r²>)^1/2	7.284

All results from a given calculation for I2 (Iodine diatomic)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for I₂ (Iodine diatomic)