CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	196.06	1.51	kJ mol^-1	webbook
Hfg(0K)		1.51	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

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	3055		1994Hew/She:4077
2	A_g	1580		1994Hew/She:4077
3	A_g	1233		1994Hew/She:4077
4	A_g	1016		1994Hew/She:4077
5	A_g	602		1994Hew/She:4077
6	A_u	960		1994Hew/She:4077
7	A_u	350		1994Hew/She:4077
8	B_1g	927		1994Hew/She:4077
9	B_1u	3012		1994Hew/She:4077
10	B_1u	1483		1994Hew/She:4077
11	B_1u	1130		1994Hew/She:4077
12	B_1u	1018		1994Hew/She:4077
13	B_2g	983		1994Hew/She:4077
14	B_2g	756		1994Hew/She:4077
15	B_2u	3069		1994Hew/She:4077
16	B_2u	1411		1994Hew/She:4077
17	B_2u	1149		1994Hew/She:4077
18	B_2u	1063		1994Hew/She:4077
19	B_3g	3040		1994Hew/She:4077
20	B_3g	1525		1994Hew/She:4077
21	B_3g	1346		1994Hew/She:4077
22	B_3g	704		1994Hew/She:4077
23	B_3u	785		1994Hew/She:4077
24	B_3u	418		1994Hew/She:4077

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.083		3	7			1992Kuchitsu(II/21)
rCN	1.338		2	5			1992Kuchitsu(II/21)
rCC	1.397		3	6			1992Kuchitsu(II/21)
aCNC	115.65		3	1	4		1992Kuchitsu(II/21)
aHCC	119.96		3	6	10		1992Kuchitsu(II/21)
aCCN	122.175		1	4	5		1992Kuchitsu(II/21)	by symmetry
aHCN	117.865		1	4	8		1992Kuchitsu(II/21)	by symmetry

Bond Type	Count
H-C	4
C:C	2
C:N	4

Atom 1	Atom 2
N1	C3
N1	C4
N2	C5
N2	C6
C3	C6
C3	H7
C4	C5
C4	H8
C5	H9
C6	H10

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

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				0.000	NSRDS-NBS10		D_2h	0	2

squib	reference	DOI
1992Kuchitsu(II/21)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992.
1994Hew/She:4077	Hewett, K.; Shen, M.; Brummel, C.; Philips, L. "High resolution infrared spectroscopy of pyrazine and naphthalene in a molecular beam." Journal of Chemical Physics. 100, 4077-4086 (1994)	10.1063/1.466345
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C4H4N2 (Pyrazine)

Experimental data for C₄H₄N₂ (Pyrazine)