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	741		webbook
2	A₁	337		webbook
3	E	702		webbook
3	E	702		webbook
4	E	262		webbook
4	E	262		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAsF	1.706	0.002	1	2			1970Cli/Bar:805-811	rg
aFAsF	96.2	0.2	2	1	3		1970Cli/Bar:805-811

Atom	x (Å)	y (Å)	z (Å)
As1	0.0000	0.0000	0.3925
F2	0.0000	1.4662	-0.4797
F3	1.2698	-0.7331	-0.4797
F4	-1.2698	-0.7331	-0.4797

	As1	F2	F3	F4
As1		1.7060	1.7060	1.7060
F2	1.7060		2.5396	2.5396
F3	1.7060	2.5396		2.5396
F4	1.7060	2.5396	2.5396

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	As1	F3	96.200		F2	As1	F4	96.200
F3	As1	F4	96.200

	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	¹A₁	C_3v	True				2.590	NSRDS-NBS10	MW	C_3v	1	1

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
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for AsF3 (Arsenic trifluoride)

Experimental data for AsF₃ (Arsenic trifluoride)