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	hartrees
Energy at 0K	-295.712572
Energy at 298.15K	-295.717776
Nuclear repulsion energy	211.753705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3256	3089	0.00
2	A_g	1441	1367	0.00
3	A_g	1016	964	0.00
4	A_g	748	710	0.00
5	A_u	330	313	0.00
6	B_1u	3256	3089	4.30
7	B_1u	1223	1160	61.06
8	B_1u	1105	1049	0.09
9	B_2g	977	927	0.00
10	B_2g	801	760	0.00
11	B_2u	1466	1391	4.81
12	B_2u	1216	1154	0.13
13	B_2u	1084	1028	29.21
14	B_3g	1548	1469	0.00
15	B_3g	1326	1258	0.00
16	B_3g	635	602	0.00
17	B_3u	925	878	1.37
18	B_3u	271	257	55.78

Atom	y (Å)	z (Å)
C1	0.000	1.263
C2	0.000	-1.263
N3	1.201	0.667
N4	-1.201	0.667
N5	-1.201	-0.667
N6	1.201	-0.667
H7	0.000	2.348
H8	0.000	-2.348

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5263	1.3414	1.3414	2.2731	2.2731	1.0844	3.6108
C2	2.5263		2.2731	2.2731	1.3414	1.3414	3.6108	1.0844
N3	1.3414	2.2731		2.4027	2.7477	1.3330	2.0662	3.2447
N4	1.3414	2.2731	2.4027		1.3330	2.7477	2.0662	3.2447
N5	2.2731	1.3414	2.7477	1.3330		2.4027	3.2447	2.0662
N6	2.2731	1.3414	1.3330	2.7477	2.4027		3.2447	2.0662
H7	1.0844	3.6108	2.0662	2.0662	3.2447	3.2447		4.6952
H8	3.6108	1.0844	3.2447	3.2447	2.0662	2.0662	4.6952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.411	C1	N4	N5	116.411
C2	N5	N4	116.411	C2	N6	N3	116.411
N3	C1	N4	127.177	N3	C1	H7	116.411
N4	C1	H7	116.411	N5	C2	N6	127.177
N5	C2	H8	116.411	N6	C2	H8	116.411

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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