CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-1220.47	0.80	kJ mol^-1	JANAF
Hfg(0K)	-1206.50	0.80	kJ mol^-1	JANAF
Entropy (298.15K)	291.54	0.40	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	16.92		kJ mol^-1
Heat Capacity (298.15K)	96.96		J K^-1 mol^-1

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	A_1g	774		JANAF
2	E_g	642		JANAF
3	T_1u	948		JANAF
4	T_1u	616		JANAF
5	T_2g	525		JANAF
6	T_2u	347		JANAF

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSF	1.561		1	2			1998Kuc
aFSF	90		2	1	3		1998Kuc	symmetry
aFSF	180		2	1	7		1998Kuc	symmetry

Atom	x (Å)	y (Å)	z (Å)
S1	0.0000	0.0000	0.0000
F2	0.0000	0.0000	1.5607
F3	0.0000	1.5607	0.0000
F4	1.5607	0.0000	0.0000
F5	0.0000	-1.5607	0.0000
F6	-1.5607	0.0000	0.0000
F7	0.0000	0.0000	-1.5607

	S1	F2	F3	F4	F5	F6	F7
S1		1.5607	1.5607	1.5607	1.5607	1.5607	1.5607
F2	1.5607		2.2072	2.2072	2.2072	2.2072	3.1214
F3	1.5607	2.2072		2.2072	3.1214	2.2072	2.2072
F4	1.5607	2.2072	2.2072		2.2072	3.1214	2.2072
F5	1.5607	2.2072	3.1214	2.2072		2.2072	2.2072
F6	1.5607	2.2072	2.2072	3.1214	2.2072		2.2072
F7	1.5607	3.1214	2.2072	2.2072	2.2072	2.2072

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	S1	F3	90.000	F2	S1	F4	90.000
F2	S1	F5	90.000	F2	S1	F6	90.000
F2	S1	F7	180.000	F3	S1	F4	90.000
F3	S1	F5	180.000	F3	S1	F6	90.000
F3	S1	F7	90.000	F4	S1	F5	90.000
F4	S1	F6	180.000	F4	S1	F7	90.000
F5	S1	F6	90.000	F5	S1	F7	90.000
F6	S1	F7	90.000

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	¹A_1G	O_h	True	0.000	0.000	0.000	0.000			O_h	0	0

squib	reference	DOI
1984Pat/Her:31	CW Patterson, F Herlemont, M Azizi, J Lemaire " Doppler-Free Two-Photon Spectroscopy of the 2nu3 band of SF6" J. Mol. Spect. 108, 31-41 (1984)	10.1016/0022-2852(84)90284-4
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for SF6 (Sulfur Hexafluoride)

Experimental data for SF₆ (Sulfur Hexafluoride)