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	hartrees
Energy at 0K	-295.327096
Energy at 298.15K	-295.332549
Nuclear repulsion energy	214.571816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3379	3121	0.00
2	A_g	1641	1516	0.00
3	A_g	1133	1046	0.00
4	A_g	795	734	0.00
5	A_u	403	372	0.00
6	B_1u	3377	3119	5.23
7	B_1u	1330	1229	72.21
8	B_1u	1156	1068	3.91
9	B_2g	1048	968	0.00
10	B_2g	854	789	0.00
11	B_2u	1584	1463	2.83
12	B_2u	1229	1136	16.06
13	B_2u	954	881	73.32
14	B_3g	1718	1587	0.00
15	B_3g	1406	1298	0.00
16	B_3g	679	627	0.00
17	B_3u	985	910	1.43
18	B_3u	353	326	57.52

Atom	y (Å)	z (Å)
C1	0.000	1.257
C2	0.000	-1.257
N3	1.182	0.653
N4	-1.182	0.653
N5	-1.182	-0.653
N6	1.182	-0.653
H7	0.000	2.334
H8	0.000	-2.334

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5133	1.3271	1.3271	2.2462	2.2462	1.0769	3.5902
C2	2.5133		2.2462	2.2462	1.3271	1.3271	3.5902	1.0769
N3	1.3271	2.2462		2.3641	2.7012	1.3068	2.0543	3.2123
N4	1.3271	2.2462	2.3641		1.3068	2.7012	2.0543	3.2123
N5	2.2462	1.3271	2.7012	1.3068		2.3641	3.2123	2.0543
N6	2.2462	1.3271	1.3068	2.7012	2.3641		3.2123	2.0543
H7	1.0769	3.5902	2.0543	2.0543	3.2123	3.2123		4.6671
H8	3.5902	1.0769	3.2123	3.2123	2.0543	2.0543	4.6671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.037	C1	N4	N5	117.037
C2	N5	N4	117.037	C2	N6	N3	117.037
N3	C1	N4	125.926	N3	C1	H7	117.037
N4	C1	H7	117.037	N5	C2	N6	125.926
N5	C2	H8	117.037	N6	C2	H8	117.037

All results from a given calculation for C₂H₂N₄ (sym-tetrazine)

using model chemistry: CID/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H2N4 (sym-tetrazine)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₂N₄ (sym-tetrazine)