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	hartrees
Energy at 0K	-295.568771
Energy at 298.15K	-295.573950
Nuclear repulsion energy	210.205768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3251	3118	0.00
2	A_g	1416	1358	0.00
3	A_g	998	957	0.00
4	A_g	734	704	0.00
5	A_u	335	321	0.00
6	B_1u	3251	3117	2.96
7	B_1u	1203	1153	58.08
8	B_1u	1096	1051	0.01
9	B_2g	980	940	0.00
10	B_2g	801	768	0.00
11	B_2u	1452	1393	3.94
12	B_2u	1238	1187	1.77
13	B_2u	1070	1027	25.12
14	B_3g	1531	1468	0.00
15	B_3g	1310	1257	0.00
16	B_3g	627	602	0.00
17	B_3u	916	878	1.50
18	B_3u	259	248	53.08

Atom	y (Å)	z (Å)
C1	0.000	1.273
C2	0.000	-1.273
N3	1.210	0.671
N4	-1.210	0.671
N5	-1.210	-0.671
N6	1.210	-0.671
H7	0.000	2.365
H8	0.000	-2.365

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5461	1.3513	1.3513	2.2901	2.2901	1.0920	3.6381
C2	2.5461		2.2901	2.2901	1.3513	1.3513	3.6381	1.0920
N3	1.3513	2.2901		2.4199	2.7675	1.3428	2.0815	3.2686
N4	1.3513	2.2901	2.4199		1.3428	2.7675	2.0815	3.2686
N5	2.2901	1.3513	2.7675	1.3428		2.4199	3.2686	2.0815
N6	2.2901	1.3513	1.3428	2.7675	2.4199		3.2686	2.0815
H7	1.0920	3.6381	2.0815	2.0815	3.2686	3.2686		4.7301
H8	3.6381	1.0920	3.2686	3.2686	2.0815	2.0815	4.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.439	C1	N4	N5	116.439
C2	N5	N4	116.439	C2	N6	N3	116.439
N3	C1	N4	127.123	N3	C1	H7	116.439
N4	C1	H7	116.439	N5	C2	N6	127.123
N5	C2	H8	116.439	N6	C2	H8	116.439

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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