CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	225.87	0.89	kJ mol^-1	webbook
Hfg(0K)		0.89	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	A₁'	3042		1974sve/kov
2	A₁'	1132		1974sve/kov
3	A₁'	992		1974sve/kov
4	A₂'	1278		1974sve/kov
5	A₂'	1068		1974sve/kov
6	A₂"	925		1974sve/kov
7	A₂"	737		1974sve/kov
8	E'	3056		1974sve/kov
9	E'	1555		1974sve/kov
10	E'	1410		1974sve/kov
11	E'	1176		1974sve/kov
12	E'	657		1974sve/kov
13	E"	830		1974sve/kov
14	E"	340		1974sve/kov

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.338		1	5			1966Herzberg

Bond Type	Count
C:N	6
H-C	3

Atom 1	Atom 2
C1	N5
C1	N6
C1	H7
C2	N4
C2	N5
C2	H8
C3	N4
C3	N6
C3	H9

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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^'	D_3h	True				0.000	NSRDS-NBS10		D_3h	0	1

squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1974sve/kov	L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974
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 C3H3N3 (1,3,5-Triazine)

Experimental data for C₃H₃N₃ (1,3,5-Triazine)