CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-306.70	1.00	kJ mol^-1	webbook
Hfg(0K)		1.00	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	A_g	3088		1985Zim/Dun:312
2	A_g	1595
3	A_g	1250
4	A_g	1140
5	A_g	859
6	A_g	450
7	A_u	945
8	A_u	420
9	B_1g	800
10	B_1u	3073
11	B_1u	1514
12	B_1u	1228
13	B_1u	1014
14	B_1u	740
15	B_2g	928
16	B_2g	692
18	B_2g	374
18	B_2u	3073
19	B_2u	1633						or maybe 1431
20	B_2u	1306
21	B_2u	1085
22	B_2u	348
23	B_3g	3085
24	B_3g	1617
25	B_3g	1285
26	B_3g	635
27	B_3g	434
28	B_3u	838
29	B_3u	505
30	B_3u	158

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

Atom 1	Atom 2
C1	C3
C1	C4
C1	F7
C2	C5
C2	C6
C2	F8
C3	C6
C3	H9
C4	C5
C4	H10
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	¹A_g	D_2h	True							D_2h	0	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
1985Zim/Dun:312	RL Zimmerman, TM Dunn "THE VAPOR-PHASE INFRARED AND RAMAN-SPECTRA OF PARA-DIFLUOROBENZENE (H-4) AND (D4)" J. Mol. Spect. 110(2) 312-325, 1985	10.1016/0022-2852(85)90297-8
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C6H4F2 (1,4-difluorobenzene)

Experimental data for C₆H₄F₂ (1,4-difluorobenzene)