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	hartrees
Energy at 0K	-26.270556
Energy at 298.15K	-26.268603
HF Energy	-26.270556
Nuclear repulsion energy	10.485253

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.601
Cl2	0.000	0.000	-1.872

	I1	Cl2
I1		2.4730
Cl2	2.4730

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.246
2	Cl	-0.246

	x	y	z	Total
	0.000	0.000	1.873	1.873
CHELPG
AIM
ESP

All results from a given calculation for ICl (Iodine monochloride)

using model chemistry: B1B95/CEP-121G

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>	47.232
(<r²>)^1/2	6.873