CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-496.22	4.20	kJ mol^-1	JANAF
Hfg(0K)	-491.15	4.20	kJ mol^-1	JANAF
Entropy (298.15K)	313.72	0.40	J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	16.15		kJ mol^-1	JANAF
Heat Capacity (298.15K)	75.44		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	2261		Shim
2	A₁	499		Shim
3	A₁	254		Shim
4	E	811		Shim
5	E	600		Shim
6	E	176		Shim

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiH	1.464		1	2			1977Tak/Mat:1633	rs value
rSiCl	2.020		1	3			1977Tak/Mat:1633	rs value
aClSiCl	109.4		3	1	4		1977Tak/Mat:1633
aHSiCl	109.5		2	1	3		1977Tak/Mat:1633

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.4989
H2	0.0000	0.0000	1.9629
Cl3	0.0000	1.9041	-0.1754
Cl4	1.6490	-0.9521	-0.1754
Cl5	-1.6490	-0.9521	-0.1754

	Si1	H2	Cl3	Cl4	Cl5
Si1		1.4640	2.0200	2.0200	2.0200
H2	1.4640		2.8632	2.8632	2.8632
Cl3	2.0200	2.8632		3.2981	3.2981
Cl4	2.0200	2.8632	3.2981		3.2981
Cl5	2.0200	2.8632	3.2981	3.2981

	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	Cl3	109.500	H2	Si1	Cl4	109.500
H2	Si1	Cl5	109.500	Cl3	Si1	Cl4	109.442
Cl3	Si1	Cl5	109.442	Cl4	Si1	Cl5	109.442

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				0.860	NSRDS-NBS10	DT	C_3v	1	1

squib	reference	DOI
1977Tak/Mat:1633	H Takeo, C Matsumura "The Microwave Spectra, Molecular Structures, and Quadrupole Coupling Constants of Methyltrichlorosilane and Trichlorosilane" Bulletin of the Chemical Society of Japan Vol. 50 (1977) No. 6 P 1633-1634	10.1246/bcsj.50.1633
1986Smi:110	JG Smith "The Millimetre Wave Spectrum of Trichlorosilane" J. Mol. Spect. 120, 110-117, 1986	10.1016/0022-2852(86)90074-3
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.
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
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	1
Si-Cl	3

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Experimental data for SiHCl3 (Trichlorosilane)

Experimental data for SiHCl₃ (Trichlorosilane)