CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ_g	449		webbook					KrF₂ s-stretch
2	Σ_u	593		webbook					KrF₂ a-stretch
3	Π_u	235		webbook					bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rFKr	1.875	0.002	1	2			1968Mur/Rei:5690-5693
aFKrF	180		2	1	3		1968Mur/Rei:5690-5693	by symmetry

Atom	x (Å)	y (Å)	z (Å)
Kr1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.8750
F3	0.0000	0.0000	-1.8750

	Kr1	F2	F3
Kr1		1.8750	1.8750
F2	1.8750		3.7500
F3	1.8750	3.7500

Atom 1	Atom 2
Kr1	F2
Kr1	F3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹Σ_g	D_∞h	True							D_∞h	0	1

squib	reference	DOI
1968Mur/Rei:5690-5693	C Murchison, S Reichman, D Anderson, J Overend, F Schreiner "The Structure of Krypton Difluoride" J. Am. Chem. Soc. 90(21), 1968, 5690-5693	10.1021/ja01023a007
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for KrF2 (Krypton difluoride)

Experimental data for KrF₂ (Krypton difluoride)