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	hartrees
Energy at 0K	-395.429879
Energy at 298.15K
HF Energy	-395.429879
Nuclear repulsion energy	62.191217

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.278
F2	0.000	0.000	-1.637

	I1	F2
I1		1.9145
F2	1.9145

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.381
2	F	-0.381

	x	y	z	Total
	0.000	0.000	2.162	2.162
CHELPG
AIM
ESP

All results from a given calculation for IF (Iodine monofluoride)

using model chemistry: M06-2X/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>	45.828
(<r²>)^1/2	6.770