CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-1200.81	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	277.26	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	63.44	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	2316		webbook
2	A₁	858
3	A₁	425
4	E	998
5	E	844
6	E	306

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiH	1.449	0.000	1	2			1999Dem/Mar:1053-1067
rSiF	1.563	0.000	1	3			1999Dem/Mar:1053-1067
aHSiF	110.6884	0.0004	2	1	3		1999Dem/Mar:1053-1067
aFSiF	108.2271	0.0004	3	1	4		1999Dem/Mar:1053-1067

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.3204
H2	0.0000	0.0000	1.7691
F3	0.0000	1.4619	-0.2317
F4	1.2660	-0.7309	-0.2317
F5	-1.2660	-0.7309	-0.2317

	Si1	H2	F3	F4	F5
Si1		1.4487	1.5627	1.5627	1.5627
H2	1.4487		2.4780	2.4780	2.4780
F3	1.5627	2.4780		2.5321	2.5321
F4	1.5627	2.4780	2.5321		2.5321
F5	1.5627	2.4780	2.5321	2.5321

	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
H2	Si1	F3	110.688	H2	Si1	F4	110.688
H2	Si1	F5	110.688	F3	Si1	F4	108.227
F3	Si1	F5	108.227	F4	Si1	F5	108.227

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				1.359	1992Har/Aka:5-12	μ₀ Laser Stark	C_3v	1	1

squib	reference	DOI
1992Har/Aka:5-12	K Harada, S Akao, K Miyachi, K Tanaka, T Tanaka "C02 1aser Stark spectroscopy of the ν4 band of SiHF3: The C0 rotational constant and vibrationally induced dipole moment" J. Chem. Phys. 96, 5 (1992)	10.1063/1.462444
1999Dem/Mar:1053-1067	J Demaison, L Margules, J Breidung, W Thiel, H Burger "Ab initio anharmonic force field, spectroscopic parameters and equilibrium structure of trifluorosilane" MOLECULAR PHYSICS 1999, 97, No. 9, 1053-1067	10.1080/00268979909482906
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-Si	1
F-Si	3

Vibrational Quantum numbers	Dip x	Dip y	Dip z	Dip total	Squib	Comment
0				1.359	1992Har/Aka:5-12
000100				1.386	1992Har/Aka:5-12

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Experimental data for SiHF3 (trifluorosilane)

Experimental data for SiHF₃ (trifluorosilane)