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	A₁'	734		Shim
2	A₁'	644		Shim
3	A₂"	787		Shim
4	A₂"	400		Shim
5	E'	811		Shim
6	E'	372		Shim
7	E'	123		Shim
8	E"	386		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAsF	1.711	0.005	1	5			1970Cli/Bar:805-811	axial rg
rAsF	1.656	0.004	1	2			1970Cli/Bar:805-811	equatorial rg
aFAsF	90		2	1	5			by symmetry
aFAsF	120		2	1	3			by symmetry

Atom 1	Atom 2
As1	F2
As1	F3
As1	F4
As1	F5
As1	F6

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	¹A₁^'	D_3h	True							D_3h	0	1

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁^'	D_3h	True						D_3h	0	1

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1970Cli/Bar:805-811	FB Clippard Jr, LS Bartell "Molecular Structures of Arsenic Trifluoride and Arsenic Pentafluoride as Determined by Electron Diffraction" Inorg. Chem., 9, 805 (1970)	10.1021/ic50086a022
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for AsF5 (Arsenic pentafluoride)

Experimental data for AsF₅ (Arsenic pentafluoride)