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	hartrees
Energy at 0K	-757.778706
Energy at 298.15K
HF Energy	-757.778706
Nuclear repulsion energy	97.288302

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.561
Cl2	0.000	0.000	-1.750

	I1	Cl2
I1		2.3117
Cl2	2.3117

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.183
2	Cl	-0.183

	x	y	z	Total
	0.000	0.000	1.133	1.133
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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>	83.977
(<r²>)^1/2	9.164