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	hartrees
Energy at 0K	-26.360876
Energy at 298.15K	-26.358925
HF Energy	-26.360876
Nuclear repulsion energy	10.501160

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.600
Cl2	0.000	0.000	-1.870

	I1	Cl2
I1		2.4692
Cl2	2.4692

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.243
2	Cl	-0.243

	x	y	z	Total
	0.000	0.000	1.823	1.823
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/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>	47.113
(<r²>)^1/2	6.864