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	hartrees
Energy at 0K	-756.067065
Energy at 298.15K
HF Energy	-756.067065
Nuclear repulsion energy	96.758897

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.564
Cl2	0.000	0.000	-1.760

	I1	Cl2
I1		2.3243
Cl2	2.3243

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.189
2	Cl	-0.189

	x	y	z	Total
	0.000	0.000	1.176	1.176
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/cc-pVTZ-PP

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>	84.777
(<r²>)^1/2	9.207