CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-376.56	20.90	kJ mol^-1	JANAF
Hfg(0K)	-367.16	20.90	kJ mol^-1	JANAF
Entropy (298.15K)	238.40	0.80	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	10.93		kJ mol^-1	JANAF
Heat Capacity (298.15K)	47.17		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	2206		Shim
2	A₁	990		Shim
3	A₁	872		Shim
4	E	2196		Shim
5	E	956		Shim
6	E	728		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiH	1.476		1	3			1998Kuc	r0 value
rSiF	1.595		1	2			1998Kuc	r0 value
aHSiF	108.269		2	1	3		1998Kuc	a0 value
aHSiH	110.64		3	1	4		1998Kuc	from symmetry

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.4986
F2	0.0000	0.0000	-1.0959
H3	0.0000	1.4017	0.9613
H4	-1.2139	-0.7008	0.9613
H5	1.2139	-0.7008	0.9613

	Si1	F2	H3	H4	H5
Si1		1.5945	1.4761	1.4761	1.4761
F2	1.5945		2.4893	2.4893	2.4893
H3	1.4761	2.4893		2.4278	2.4278
H4	1.4761	2.4893	2.4278		2.4278
H5	1.4761	2.4893	2.4278	2.4278

	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				1.297	1983Esc/But:450-475	± 0.0006 D Laser Stark μ₀	C_3v	1	1

Vibrational Quantum numbers	Dip total	Squib	Comment
0	1.297	1983Esc/But:450-475	± 0.00057
ν2 = 1	1.306	1983Esc/But:450-475	± 0.00061
ν5 = 1	1.302	1983Esc/But:450-475	± 0.00064

squib	reference	DOI
1983Esc/But:450-475	R Escribano, RJ Butcher "Laser Stark Spectroscopy of Silyl Fluoride in the 10 μm Region: Analysis of the ν2 and ν5 Bands" J. Mol. Spect. 99, 450-475, (1983)	DOI:10.1016/0022-2852(83)90325-9
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.
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

Bond Type	Count
H-Si	3
F-Si	1

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Experimental data for SiH3F (monofluorosilane)

Experimental data for SiH₃F (monofluorosilane)