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	hartrees
Energy at 0K	-295.485329
Energy at 298.15K	-295.490609
Nuclear repulsion energy	212.468288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3296	3094	0.00
2	A_g	1543	1448	0.00
3	A_g	1078	1012	0.00
4	A_g	767	720	0.00
5	A_u	368	345	0.00
6	B_1u	3295	3093	4.59
7	B_1u	1275	1197	67.51
8	B_1u	1125	1056	2.15
9	B_2g	993	932	0.00
10	B_2g	810	760	0.00
11	B_2u	1529	1435	5.20
12	B_2u	1184	1111	11.00
13	B_2u	879	825	63.40
14	B_3g	1642	1541	0.00
15	B_3g	1364	1280	0.00
16	B_3g	658	617	0.00
17	B_3u	935	878	2.02
18	B_3u	318	299	54.48

Atom	y (Å)	z (Å)
C1	0.000	1.264
C2	0.000	-1.264
N3	1.195	0.662
N4	-1.195	0.662
N5	-1.195	-0.662
N6	1.195	-0.662
H7	0.000	2.348
H8	0.000	-2.348

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5286	1.3386	1.3386	2.2671	2.2671	1.0837	3.6122
C2	2.5286		2.2671	2.2671	1.3386	1.3386	3.6122	1.0837
N3	1.3386	2.2671		2.3910	2.7331	1.3240	2.0668	3.2387
N4	1.3386	2.2671	2.3910		1.3240	2.7331	2.0668	3.2387
N5	2.2671	1.3386	2.7331	1.3240		2.3910	3.2387	2.0668
N6	2.2671	1.3386	1.3240	2.7331	2.3910		3.2387	2.0668
H7	1.0837	3.6122	2.0668	2.0668	3.2387	3.2387		4.6959
H8	3.6122	1.0837	3.2387	3.2387	2.0668	2.0668	4.6959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.739	C1	N4	N5	116.739
C2	N5	N4	116.739	C2	N6	N3	116.739
N3	C1	N4	126.523	N3	C1	H7	116.739
N4	C1	H7	116.739	N5	C2	N6	126.523
N5	C2	H8	116.739	N6	C2	H8	116.739

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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