CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-543.00	13.00	kJ mol^-1	webbook
Hfg(0K)		13.00	kJ 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	3017		1981Dur/Gui:5946-5953					CH₃ a-str
2	A₁	2963							CH₃ s-stretch
3	A₁	1443							CH₃ a-deform
4	A₁	1396							CH₃ s-deform
5	A₁	1245							CF₂ s-str
6	A₁	908							CH₃ rock
7	A₁	779							CC s-stretch
8	A₁	524							CF₂ sciss
9	A₁	333							CCC bend
10	A₂	3015							CH₃ a-str
11	A₂	1452							CH₃ a-deform
12	A₂	994							CH₃ rock
13	A₂	354							CF₂ twist
14	A₂	255							CH₃ torsion
15	B₁	3017						B1 & B2 switched	CH₃ a-str
16	B₁	1471						B1 & B2 switch	CH₃ a-deform
17	B₁	1197						B1 & B2 switch	CF₂ a-str
18	B₁	925						B1 & B2 switch	CH₃ rock
19	B₁	517						B1 & B2 switch	CF₂ rock
20	B₁	285						B1 & B2 switch	CH₃ torsion
21	B₂	3017						B1 & B2 switch	CH₃ a-str
22	B₂	2955						B1 & B2 switch	CH₃ s-stretch
23	B₂	1464						B1 & B2 switch	CH₃ a-deform
24	B₂	1390						B1 & B2 switch	CH₃ s-deform
25	B₂	1266						B1 & B2 switch	CC a-stretch
26	B₂	987						B1 & B2 switch	CH₃ rock
27	B₂	435						B1 & B2 switch	CF₂ wag

Bond Type	Count
C-C	2
C-F	2
H-C	6

Atom 1	Atom 2
C1	C2
C1	C3
C1	F4
C1	F5
C2	H6
C2	H8
C2	H9
C3	H7
C3	H10
C3	H11

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			2.400	2.400	1981Dur/Gui:5946-5953	MW μ₀ ±0.02 D	C_2v	1	2

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1981Dur/Gui:5946-5953	JR Durig, GA Guirgis, YS Li "Microwave, Raman, and far infrared spectra, barrier to internal rotation, and dipole moment of 2,2-difluoropropane" J. Chem. Phys. 74, 5946 (1981)	10.1063/1.441032
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3CF2CH3 (2,2-difluoropropane)

Experimental data for CH₃CF₂CH₃ (2,2-difluoropropane)