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	hartrees
Energy at 0K	-295.038284
Energy at 298.15K	-295.043427
Nuclear repulsion energy	207.850669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3262	3130	0.00
2	A_g	1380	1325	0.00
3	A_g	982	942	0.00
4	A_g	745	715	0.00
5	A_u	367	352	0.00
6	B_1u	3260	3128	2.77
7	B_1u	1201	1152	59.47
8	B_1u	1078	1035	5.13
9	B_2g	962	923	0.00
10	B_2g	780	748	0.00
11	B_2u	1457	1398	18.32
12	B_2u	1087	1043	2.41
13	B_2u	688	660	40.02
14	B_3g	1512	1450	0.00
15	B_3g	1320	1267	0.00
16	B_3g	650	624	0.00
17	B_3u	915	878	2.79
18	B_3u	323	310	65.27

Atom	y (Å)	z (Å)
C1	0.000	1.300
C2	0.000	-1.300
N3	1.217	0.682
N4	-1.217	0.682
N5	-1.217	-0.682
N6	1.217	-0.682
H7	0.000	2.385
H8	0.000	-2.385

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6007	1.3653	1.3653	2.3258	2.3258	1.0851	3.6858
C2	2.6007		2.3258	2.3258	1.3653	1.3653	3.6858	1.0851
N3	1.3653	2.3258		2.4341	2.7899	1.3632	2.0939	3.2998
N4	1.3653	2.3258	2.4341		1.3632	2.7899	2.0939	3.2998
N5	2.3258	1.3653	2.7899	1.3632		2.4341	3.2998	2.0939
N6	2.3258	1.3653	1.3632	2.7899	2.4341		3.2998	2.0939
H7	1.0851	3.6858	2.0939	2.0939	3.2998	3.2998		4.7710
H8	3.6858	1.0851	3.2998	3.2998	2.0939	2.0939	4.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.948	C1	N4	N5	116.948
C2	N5	N4	116.948	C2	N6	N3	116.948
N3	C1	N4	126.104	N3	C1	H7	116.948
N4	C1	H7	116.948	N5	C2	N6	126.104
N5	C2	H8	116.948	N6	C2	H8	116.948

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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