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	hartrees
Energy at 0K	-296.356478
Energy at 298.15K	-296.361571
HF Energy	-296.356478
Nuclear repulsion energy	212.376458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3201	3089	0.00
2	A_g	1460	1409	0.00
3	A_g	1040	1004	0.00
4	A_g	745	719	0.00
5	A_u	323	312	0.00
6	B_1u	3199	3087	12.54
7	B_1u	1219	1177	60.06
8	B_1u	1090	1052	2.46
9	B_2g	1006	971	0.00
10	B_2g	830	801	0.00
11	B_2u	1474	1422	2.59
12	B_2u	1151	1111	7.29
13	B_2u	987	953	32.16
14	B_3g	1553	1499	0.00
15	B_3g	1325	1279	0.00
16	B_3g	634	612	0.00
17	B_3u	930	897	0.59
18	B_3u	208	200	50.26

Atom	y (Å)	z (Å)
C1	0.000	1.265
C2	0.000	-1.265
N3	1.199	0.653
N4	-1.199	0.653
N5	-1.199	-0.653
N6	1.199	-0.653
H7	0.000	2.347
H8	0.000	-2.347

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5307	1.3461	1.3461	2.2621	2.2621	1.0815	3.6122
C2	2.5307		2.2621	2.2621	1.3461	1.3461	3.6122	1.0815
N3	1.3461	2.2621		2.3976	2.7302	1.3060	2.0751	3.2305
N4	1.3461	2.2621	2.3976		1.3060	2.7302	2.0751	3.2305
N5	2.2621	1.3461	2.7302	1.3060		2.3976	3.2305	2.0751
N6	2.2621	1.3461	1.3060	2.7302	2.3976		3.2305	2.0751
H7	1.0815	3.6122	2.0751	2.0751	3.2305	3.2305		4.6936
H8	3.6122	1.0815	3.2305	3.2305	2.0751	2.0751	4.6936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.058	C1	N4	N5	117.058
C2	N5	N4	117.058	C2	N6	N3	117.058
N3	C1	N4	125.885	N3	C1	H7	117.058
N4	C1	H7	117.058	N5	C2	N6	125.885
N5	C2	H8	117.058	N6	C2	H8	117.058

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

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

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