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	hartrees
Energy at 0K	-110.823540
Energy at 298.15K	-110.821690
HF Energy	-110.823540
Nuclear repulsion energy	16.620737

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.291
F2	0.000	0.000	-1.715

	I1	F2
I1		2.0058
F2	2.0058

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.431
2	F	-0.431

	x	y	z	Total
	0.000	0.000	2.720	2.720
CHELPG
AIM
ESP

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

using model chemistry: LSDA/LANL2DZ

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>	42.918
(<r²>)^1/2	6.551