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	hartrees
Energy at 0K	-295.518552
Energy at 298.15K	-295.523675
Nuclear repulsion energy	210.953582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3303	3106	0.00
2	A_g	1438	1353	0.00
3	A_g	1010	950	0.00
4	A_g	746	702	0.00
5	A_u	313	294	0.00
6	B_1u	3302	3106	2.17
7	B_1u	1224	1151	56.84
8	B_1u	1103	1038	0.24
9	B_2g	965	908	0.00
10	B_2g	756	711	0.00
11	B_2u	1476	1389	3.68
12	B_2u	1229	1156	1.32
13	B_2u	1078	1014	28.60
14	B_3g	1551	1459	0.00
15	B_3g	1337	1258	0.00
16	B_3g	637	599	0.00
17	B_3u	918	863	1.71
18	B_3u	252	237	59.40

Atom	y (Å)	z (Å)
C1	0.000	1.270
C2	0.000	-1.270
N3	1.205	0.670
N4	-1.205	0.670
N5	-1.205	-0.670
N6	1.205	-0.670
H7	0.000	2.351
H8	0.000	-2.351

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5405	1.3461	1.3461	2.2839	2.2839	1.0810	3.6215
C2	2.5405		2.2839	2.2839	1.3461	1.3461	3.6215	1.0810
N3	1.3461	2.2839		2.4098	2.7573	1.3401	2.0684	3.2527
N4	1.3461	2.2839	2.4098		1.3401	2.7573	2.0684	3.2527
N5	2.2839	1.3461	2.7573	1.3401		2.4098	3.2527	2.0684
N6	2.2839	1.3461	1.3401	2.7573	2.4098		3.2527	2.0684
H7	1.0810	3.6215	2.0684	2.0684	3.2527	3.2527		4.7025
H8	3.6215	1.0810	3.2527	3.2527	2.0684	2.0684	4.7025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.480	C1	N4	N5	116.480
C2	N5	N4	116.480	C2	N6	N3	116.480
N3	C1	N4	127.041	N3	C1	H7	116.480
N4	C1	H7	116.480	N5	C2	N6	127.041
N5	C2	H8	116.480	N6	C2	H8	116.480

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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