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	hartrees
Energy at 0K	-293.515925
Energy at 298.15K	-293.520874
Nuclear repulsion energy	205.008642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3248	3090	0.00
2	A_g	1224	1164	0.00
3	A_g	836	795	0.00
4	A_g	727	691	0.00
5	A_u	326	310	0.00
6	B_1u	3247	3089	4.95
7	B_1u	1156	1100	39.82
8	B_1u	1013	964	18.92
9	B_2g	1005	957	0.00
10	B_2g	793	755	0.00
11	B_2u	1433	1363	24.03
12	B_2u	989	941	1.12
13	B_2u	700	666	13.18
14	B_3g	1418	1349	0.00
15	B_3g	1268	1206	0.00
16	B_3g	613	583	0.00
17	B_3u	949	903	3.95
18	B_3u	273	260	60.26

Atom	y (Å)	z (Å)
C1	0.000	1.305
C2	0.000	-1.305
N3	1.231	0.710
N4	-1.231	0.710
N5	-1.231	-0.710
N6	1.231	-0.710
H7	0.000	2.388
H8	0.000	-2.388

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6109	1.3680	1.3680	2.3618	2.3618	1.0827	3.6936
C2	2.6109		2.3618	2.3618	1.3680	1.3680	3.6936	1.0827
N3	1.3680	2.3618		2.4630	2.8429	1.4197	2.0816	3.3338
N4	1.3680	2.3618	2.4630		1.4197	2.8429	2.0816	3.3338
N5	2.3618	1.3680	2.8429	1.4197		2.4630	3.3338	2.0816
N6	2.3618	1.3680	1.4197	2.8429	2.4630		3.3338	2.0816
H7	1.0827	3.6936	2.0816	2.0816	3.3338	3.3338		4.7762
H8	3.6936	1.0827	3.3338	3.3338	2.0816	2.0816	4.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	115.810	C1	N4	N5	115.810
C2	N5	N4	115.810	C2	N6	N3	115.810
N3	C1	N4	128.380	N3	C1	H7	115.810
N4	C1	H7	115.810	N5	C2	N6	128.380
N5	C2	H8	115.810	N6	C2	H8	115.810

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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