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	hartrees
Energy at 0K	-295.503015
Energy at 298.15K	-295.508309
Nuclear repulsion energy	212.396399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	3104	0.00
2	A_g	1538	1442	0.00
3	A_g	1071	1004	0.00
4	A_g	764	716	0.00
5	A_u	368	345	0.00
6	B_1u	3309	3103	7.68
7	B_1u	1268	1189	64.64
8	B_1u	1125	1054	1.88
9	B_2g	998	936	0.00
10	B_2g	809	759	0.00
11	B_2u	1525	1430	3.76
12	B_2u	1179	1105	8.64
13	B_2u	905	849	57.26
14	B_3g	1637	1535	0.00
15	B_3g	1363	1278	0.00
16	B_3g	654	613	0.00
17	B_3u	938	880	1.18
18	B_3u	317	298	52.06

Atom	y (Å)	z (Å)
C1	0.000	1.264
C2	0.000	-1.264
N3	1.197	0.662
N4	-1.197	0.662
N5	-1.197	-0.662
N6	1.197	-0.662
H7	0.000	2.344
H8	0.000	-2.344

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5282	1.3395	1.3395	2.2678	2.2678	1.0797	3.6079
C2	2.5282		2.2678	2.2678	1.3395	1.3395	3.6079	1.0797
N3	1.3395	2.2678		2.3934	2.7355	1.3246	2.0639	3.2355
N4	1.3395	2.2678	2.3934		1.3246	2.7355	2.0639	3.2355
N5	2.2678	1.3395	2.7355	1.3246		2.3934	3.2355	2.0639
N6	2.2678	1.3395	1.3246	2.7355	2.3934		3.2355	2.0639
H7	1.0797	3.6079	2.0639	2.0639	3.2355	3.2355		4.6876
H8	3.6079	1.0797	3.2355	3.2355	2.0639	2.0639	4.6876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.698	C1	N4	N5	116.698
C2	N5	N4	116.698	C2	N6	N3	116.698
N3	C1	N4	126.605	N3	C1	H7	116.698
N4	C1	H7	116.698	N5	C2	N6	126.605
N5	C2	H8	116.698	N6	C2	H8	116.698

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)