CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	33.00		kJ mol^-1	webbook
Hfg(0K)			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	3072		1970Gre:1913
2	A₁	3072
3	A₁	1576
4	A₁	1458
5	A₁	1276
6	A₁	1155
7	A₁	1130
8	A₁	1040
9	A₁	660
10	A₁	480
11	A₁	202
12	A₂	975
13	A₂	850
14	A₂	695
15	A₂	504
16	A₂	152
17	B₁	940
18	B₁	748
19	B₁	435
20	B₁	239
21	B₂	3072
22	B₂	3072
23	B₂	1576
24	B₂	1438
25	B₂	1252
26	B₂	1130
27	B₂	1038
28	B₂	740
29	B₂	427
30	B₂	336

Bond Type	Count
C:C	6
H-C	4
C-Cl	2

Atom 1	Atom 2
C1	C2
C1	C3
C1	Cl7
C2	C4
C2	Cl8
C3	C5
C3	H9
C4	C6
C4	H10
C5	C6
C5	H11
C6	H12

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							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
1970Gre:1913	JHS Green "Vibrational spectra of benzene derivatives - IX: o-Disubstituted compounds" Spectrochimica Acta A 1970, 26, 1913-1923	10.1016/0584-8539(70)80129-5
1986Ond/Uea:77	M Onda, M Ueda, M Atsuki, J Yamaguchi, I Yamaguchi "Microwave spectra and structure of 1,2-dichlorobenzene-3d and -4d" J. Mol. Struct. 147 (1986) 77-84	10.1016/0022-2860(86)87060-0
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H4Cl2 (1,2-dichlorobenzene)

Experimental data for C₆H₄Cl₂ (1,2-dichlorobenzene)