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_g	2972		webbook
2	A_g	1440		webbook
3	A_g	1255		webbook
4	A_g	1053		webbook
5	A_g	660		webbook
6	A_g	190		webbook
7	A_u	3037		webbook
8	A_u	1087		webbook
9	A_u	753		webbook
10	A_u	118		webbook
11	B_g	3013		webbook
12	B_g	1255		webbook
13	B_g	933		webbook
14	B_u	2974		webbook
15	B_u	1441		webbook
16	B_u	1186		webbook
17	B_u	589		webbook
18	B_u	193		webbook

Bond Type	Count
C-C	1
H-C	4
C-Br	2

Atom 1	Atom 2
C1	C2
C1	Br3
C1	H5
C1	H6
C2	Br4
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_g	C_2h	True							C_2h	0	3
1	2	¹A	C₂	False				1.040	1971Vau:21		C₂	1	3

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_g	C_2h	True						C_2h	0	3
1	2	¹A	C₂	False						C₂	1	3

	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
1971Vau:21	WE Vaughan, Digest of literature on dielectrics, v.33, 1969, 21
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH2BrCH2Br (Ethane, 1,2-dibromo-)

Experimental data for CH₂BrCH₂Br (Ethane, 1,2-dibromo-)