CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-790.78	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	262.12	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	54.21	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	2246		2005Beg/Car:25-29					SiH₂ s-stretch
2	A₁	982							SiH₂ scissors
3	A₁	870							SiF₂ sym str
4	A₁	323							SiF₂ sciss
5	A₂	730							SiH₂ twist
6	B₁	2251							SiH₂ a-stretch
7	B₁	730							SiH₂ rock
8	B₂	981							SiH₂ wag
9	B₂	903							SiF₂ asym str

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rSiH	1.462		1	4			2003Deu/Dem:12-21	re semiexperimental
rSiF	1.576		1	2			2003Deu/Dem:12-21
aHSiH	114.57		4	1	5		2003Deu/Dem:12-21
aFSiF	107.78		2	1	3		2003Deu/Dem:12-21

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.4452
F2	0.0000	1.2731	-0.4835
F3	0.0000	-1.2731	-0.4835
H4	1.2297	0.0000	1.2351
H5	-1.2297	0.0000	1.2351

	Si1	F2	F3	H4	H5
Si1		1.5758	1.5758	1.4615	1.4615
F2	1.5758		2.5461	2.4670	2.4670
F3	1.5758	2.5461		2.4670	2.4670
H4	1.4615	2.4670	2.4670		2.4593
H5	1.4615	2.4670	2.4670	2.4593

	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	Si1	F3	107.780	F2	Si1	H4	108.573
F2	Si1	H5	108.573	F3	Si1	H4	108.573
F3	Si1	H5	108.573	H4	Si1	H5	114.570

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_2v	True			1.540	1.540	1957Lau:1359-1362	± 0.02 D MW μ₀	C_2v	1	2

Vibrational Quantum numbers	Dip x	Dip y	Dip z	Dip total	Squib	Comment
000 000 000				1.540	1957Lau:1359-1362
000 100 000				1.540	1957Lau:1359-1362

squib	reference	DOI
1957Lau:1359-1362	VW Laurie "Microwave Spectrum, Dipole Moment, and Structure of Difluorosilane" J. Chem. Phys. 26, 1359 (1957)	10.1063/1.1743546
2003Deu/Dem:12-21	JF D'Eu, J. Demaison, H Burger "Millimeter-wave and high-resolution FTIR spectroscopy of SiH2F2: the ground and v4=1 states" J. Mol. Spect. 218 (2003) 12–21	10.1016/S0022-2852(02)00008-5
2005Beg/Car:25-29	D Begue, P Carbonniere, V Barone, C Pouchan "Vibrational spectra of difluorosilane from a hybrid ab initio and DFT quartic force field" Chem. Phys. Lett. 415 (2005) 25–29	10.1016/j.cplett.2005.08.053
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-Si	2
Si-F	2

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Experimental data for SiH2F2 (difluorosilane)

Experimental data for SiH₂F₂ (difluorosilane)