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	3010		1988Inn/Ros:492
2	A_g	1415		1988Inn/Ros:492
3	A_g	1009		1988Inn/Ros:492
4	A_g	736		1988Inn/Ros:492
5	A_u	335		1988Inn/Ros:492
6	B_1u	3086		1988Inn/Ros:492
7	B_1u	1204		1988Inn/Ros:492
8	B_1u	1093		1988Inn/Ros:492
9	B_2g	994		1988Inn/Ros:492
10	B_2g	801		1988Inn/Ros:492
11	B_2u	1448		1988Inn/Ros:492
12	B_2u	1104		1988Inn/Ros:492
13	B_2u	883		1988Inn/Ros:492
14	B_3g	1525		1988Inn/Ros:492
15	B_3g	1290		1988Inn/Ros:492
16	B_3g	640		1988Inn/Ros:492
17	B_3u	929		1988Inn/Ros:492
18	B_3u	254		1988Inn/Ros:492

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

Atom 1	Atom 2
C1	C2
C1	N3
C1	H7
C2	N5
C2	N6
C2	H8
N3	N6
N4	N5

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

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	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
1988Inn/Ros:492	KK Innes, IG Ross, WR Moomaw "Electronic States of Azabenzenes and Azanaphthalenes: A Revised and Extended Critical Review" J. Mol. Spect. 132, 492-544 (1988)	10.1016/0022-2852(88)90343-8
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C2H2N4 (sym-tetrazine)

Experimental data for C₂H₂N₄ (sym-tetrazine)