CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-336.40	4.00	kJ mol^-1	Gurvich
Hfg(0K)	-329.48	4.00	kJ mol^-1	Gurvich
Entropy (298.15K)	266.04		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	12.05		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	60.12		J K^-1 mol^-1	Gurvich

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	3070		1982Kag/Pow:1099	42.2	5.0	1982Kag/Pow:1099
2	A₁	1728		1982Kag/Pow:1099	216.0	4.3	1982Kag/Pow:1099
3	A₁	1360		1982Kag/Pow:1099	0.0	20.4	1982Kag/Pow:1099
4	A₁	926		1982Kag/Pow:1099	64.8	17.6	1982Kag/Pow:1099
5	A₁	550		1982Kag/Pow:1099	5.1	0.2	1982Kag/Pow:1099
6	A₂	714		1974sve/kov
7	B₁	803		1982Kag/Pow:1099	60.3	0.5	1982Kag/Pow:1099	B1 & B2 switched in 1974sve/kov
8	B₁	611		1982Kag/Pow:1099	0.3	0.1	1982Kag/Pow:1099
9	B₂	3154		1982Kag/Pow:1099	8.6	5.2	1982Kag/Pow:1099
10	B₂	1302		1982Kag/Pow:1099	190.1	19.5	1982Kag/Pow:1099
11	B₂	955		1982Kag/Pow:1099	23.5	18.1	1982Kag/Pow:1099
12	B₂	438		1982Kag/Pow:1099	0.6	0.0	1982Kag/Pow:1099

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.340	0.006	1	2			1987Kuchitsu(II/15)
rCF	1.315	0.003	2	5			1987Kuchitsu(II/15)
rCH	1.091	0.009	1	3			1987Kuchitsu(II/15)
aFCF	110.6	0.3	5	2	6		1987Kuchitsu(II/15)
aHCH	122	0.4	3	1	4		1987Kuchitsu(II/15)
aCCF	124.7	0.3	1	2	5		1987Kuchitsu(II/15)
aHCC	119	0.4	2	1	3		1987Kuchitsu(II/15)

Atom	y (Å)	z (Å)
C1	0.0000	1.3930
C2	0.0000	0.0530
H3	0.9542	1.9220
H4	-0.9542	1.9220
F5	1.0811	-0.6956
F6	-1.0811	-0.6956

	C1	C2	H3	H4	F5	F6
C1		1.3400	1.0910	1.0910	2.3518	2.3518
C2	1.3400		2.0984	2.0984	1.3150	1.3150
H3	1.0910	2.0984		1.9084	2.6206	3.3157
H4	1.0910	2.0984	1.9084		3.3157	2.6206
F5	2.3518	1.3150	2.6206	3.3157		2.1622
F6	2.3518	1.3150	3.3157	2.6206	2.1622

	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
C1	C2	F5	124.700	C1	C2	F6	124.700
C2	C1	H3	119.000	C2	C1	H4	119.000
H3	C1	H4	122.000	F5	C2	F6	110.600

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				1.389	1987Joh/Cho:317-332	MW μ0 ± 0.0014 D	C_2v	1	2

squib	reference	DOI
1949Rob/Edg:742	Roberts, A.; Edgell, W. "The Microwave Spectrum of CF2CH2." Journal of Chemical Physics. 17, 742-743 (1949)	10.1063/1.1747384
1971Fly/Ben:225	WH Flygare, RC Benson "The molecular Zeeman effect in diamagnetic molecules and the determination of molecular magnetic moments (g values), magnetic susceptibilities, and molecular quadrupole moments" Mol. Phys. 1971, 20 (2), 225-250	10.1080/00268977100100221
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
1982Kag/Pow:1099	RO Kagel, DL Powell, J Overend, MN Ramos, ABMS Bassi, RE Bruns " Infrared gas phase intensity measurements, polar tensors, and effective charges of vinylidene fluoride and its deuterated modifications" J. Chem. Phys. 77(3), 1099, 1982	10.1063/1.443993
1987Joh/Cho:317-332	LH Johnston, HC Chou, SRRaju, GR Sudhakaran, MCL Gerry, RW Davis "Laser Stark spectroscopy of 1,1 difluoroethylene at λ = 337 μm" J. Mol. Spect. 124, 1987, 317-332	10.1016/0022-2852(87)90144-5
1987Kuchitsu(II/15)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
H-C	2
C=C	1
C-F	2

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Experimental data for CH2CF2 (Ethene, 1,1-difluoro-)

Experimental data for CH₂CF₂ (Ethene, 1,1-difluoro-)