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	hartrees
Energy at 0K	-6989.805835
Energy at 298.15K	-6989.804002
HF Energy	-6989.805835
Nuclear repulsion energy	126.162089

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.290
F2	0.000	0.000	-1.710

	I1	F2
I1		2.0007
F2	2.0007

Number	Element	Mulliken	CHELPG	AIM	ESP
1	I	0.346
2	F	-0.346

	x	y	z	Total
	0.000	0.000	1.934	1.934
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/3-21G

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>	51.218
(<r²>)^1/2	7.157