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	hartrees
Energy at 0K	-295.870560
Energy at 298.15K	-295.875841
Nuclear repulsion energy	213.050113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3264	3099	0.00
2	A_g	1450	1377	0.00
3	A_g	1028	976	0.00
4	A_g	751	713	0.00
5	A_u	353	335	0.00
6	B_1u	3263	3098	3.12
7	B_1u	1235	1173	63.77
8	B_1u	1114	1057	0.08
9	B_2g	1032	980	0.00
10	B_2g	838	796	0.00
11	B_2u	1482	1407	3.98
12	B_2u	1249	1185	0.65
13	B_2u	1093	1037	28.08
14	B_3g	1562	1483	0.00
15	B_3g	1339	1271	0.00
16	B_3g	640	607	0.00
17	B_3u	966	917	1.16
18	B_3u	274	260	54.15

Atom	y (Å)	z (Å)
C1	0.000	1.258
C2	0.000	-1.258
N3	1.193	0.663
N4	-1.193	0.663
N5	-1.193	-0.663
N6	1.193	-0.663
H7	0.000	2.333
H8	0.000	-2.333

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5154	1.3332	1.3332	2.2607	2.2607	1.0755	3.5909
C2	2.5154		2.2607	2.2607	1.3332	1.3332	3.5909	1.0755
N3	1.3332	2.2607		2.3860	2.7293	1.3252	2.0528	3.2246
N4	1.3332	2.2607	2.3860		1.3252	2.7293	2.0528	3.2246
N5	2.2607	1.3332	2.7293	1.3252		2.3860	3.2246	2.0528
N6	2.2607	1.3332	1.3252	2.7293	2.3860		3.2246	2.0528
H7	1.0755	3.5909	2.0528	2.0528	3.2246	3.2246		4.6664
H8	3.5909	1.0755	3.2246	3.2246	2.0528	2.0528	4.6664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.511	C1	N4	N5	116.511
C2	N5	N4	116.511	C2	N6	N3	116.511
N3	C1	N4	126.979	N3	C1	H7	116.511
N4	C1	H7	116.511	N5	C2	N6	126.979
N5	C2	H8	116.511	N6	C2	H8	116.511

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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