CCCBDB listing of experimental data page 2

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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	A'	2984		1991Dur/Liu:4664
2	A'	2966		1991Dur/Liu:4664
3	A'	1467		1991Dur/Liu:4664
4	A'	1436		1991Dur/Liu:4664
5	A'	1397		1991Dur/Liu:4664
6	A'	1306		1991Dur/Liu:4664
7	A'	1090		1991Dur/Liu:4664
8	A'	1052		1991Dur/Liu:4664
9	A'	779		1991Dur/Liu:4664
10	A'	383		1991Dur/Liu:4664
11	A'	245		1991Dur/Liu:4664
12	A"	3025		1991Dur/Liu:4664
13	A"	3010		1991Dur/Liu:4664
14	A"	1258		1991Dur/Liu:4664
15	A"	1200		1991Dur/Liu:4664
16	A"	964		1991Dur/Liu:4664
17	A"	847		1991Dur/Liu:4664
18	A"	138		1991Dur/Liu:4664

Bond Type	Count
C-C	1
C-F	1
C-Cl	1
H-C	4

Atom 1	Atom 2
C1	C2
C1	Cl3
C1	H5
C1	H6
C2	F4
C2	H7
C2	H8

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	¹A^'	C_s	False							C_s	2	3
1	2	¹A	C₁	True				2.720	NSRDS-NBS10	MW	C₁	3	5

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	False						C_s	2	3
1	2	¹A	C₁	True						C₁	3	5

	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
1991Dur/Liu:4664	JR Durig, J Liu, TS Little "Conformational Analysis, Barriers to Internal Rotation, ab Initio Calculations, and Vibrational Assignment of 1-Chloro-2-fluoroethane" J. Phys. Chem. 1991, 95, 4664-4672	10.1021/j100165a015
1994Mil/Sto:75-89	CC Miller, SC Stone, LA Philips "Linking structure and vibrational mode coupling using high-resolution infrared spectroscopy: A comparison of gauche and trans 1-chloro-2-fluoroethane" J. Chem. Phys. 102, 75 (1995)	10.1063/1.469447
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
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

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Experimental data for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

Experimental data for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)