CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-1038.89	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	319.90	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	104.20	J K^-1 mol^-1	webbook

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	851		1977Nof/Sma:3380				SF str
2	A₁	705		1977Nof/Sma:3380				SF4 s-str
3	A₁	603		1977Nof/Sma:3380				SF4 op-deform
4	A₁	404		1977Nof/Sma:3380				SCl str
5	B₁	504		1977Nof/Sma:3380				SF4 ip-deform B2 orig.
6	B₂	622		1977Nof/Sma:3380				SF4 a-str B1 orig.
7	B₂							SF4 op-deform B1 orig.
8	E	909		1977Nof/Sma:3380				SF4 d-str
9	E	592		1977Nof/Sma:3380				SF bend
10	E	441		1977Nof/Sma:3380				SF4 ip-deform
11	E	273		1977Nof/Sma:3380				SCl bend

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSCl	2.030	0.003	1	2			1976Hellwege(II/7)
rFS	1.576	0.020	1	3			1976Hellwege(II/7)
aFSF	88.4	1	3	1	7		1976Hellwege(II/7)	axial F
aFSCl	91.6	1	2	1	3		1976Hellwege(II/7)	by symmetry

Atom	x (Å)	y (Å)	z (Å)
S1	0.0000	0.0000	-0.2403
Cl2	0.0000	0.0000	1.7897
F3	0.0000	1.5754	-0.2843
F4	1.5754	0.0000	-0.2843
F5	0.0000	-1.5754	-0.2843
F6	-1.5754	0.0000	-0.2843
F7	0.0000	0.0000	-1.8163

	S1	Cl2	F3	F4	F5	F6	F7
S1		2.0300	1.5760	1.5760	1.5760	1.5760	1.5760
Cl2	2.0300		2.6045	2.6045	2.6045	2.6045	3.6060
F3	1.5760	2.6045		2.2279	3.1508	2.2279	2.1975
F4	1.5760	2.6045	2.2279		2.2279	3.1508	2.1975
F5	1.5760	2.6045	3.1508	2.2279		2.2279	2.1975
F6	1.5760	2.6045	2.2279	3.1508	2.2279		2.1975
F7	1.5760	3.6060	2.1975	2.1975	2.1975	2.1975

	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
Cl2	S1	F3	91.600	Cl2	S1	F4	91.600
Cl2	S1	F5	91.600	Cl2	S1	F6	91.600
Cl2	S1	F7	180.000	F3	S1	F4	89.955
F3	S1	F5	176.800	F3	S1	F6	89.955
F3	S1	F7	88.400	F4	S1	F5	89.955
F4	S1	F6	176.800	F4	S1	F7	88.400
F5	S1	F6	89.955	F5	S1	F7	88.400
F6	S1	F7	88.400

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_4v	True							C_4v	1	1

squib	reference	DOI
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1977Nof/Sma:3380	RE Noftle, RR Smardzewski, WB Fox "Gas-Phase Raman Spectrum of Pentafluorosulfur Chloride, SF5Cl" Inorganic Chemistry 16(12) 3380, 1977	10.1021/ic50178a089
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
S-Cl	1
F-S	5

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Experimental data for SF5Cl (sulfur chloropentafluoride)

Experimental data for SF₅Cl (sulfur chloropentafluoride)