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	hartrees
Energy at 0K	-295.527453
Energy at 298.15K	-295.532661
Nuclear repulsion energy	211.536298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3255	3123	0.00
2	A_g	1512	1450	0.00
3	A_g	1055	1012	0.00
4	A_g	755	724	0.00
5	A_u	342	328	0.00
6	B_1u	3254	3122	6.86
7	B_1u	1242	1192	59.58
8	B_1u	1109	1064	3.47
9	B_2g	998	957	0.00
10	B_2g	818	785	0.00
11	B_2u	1491	1430	3.89
12	B_2u	1158	1111	9.03
13	B_2u	843	809	63.35
14	B_3g	1609	1544	0.00
15	B_3g	1329	1275	0.00
16	B_3g	646	620	0.00
17	B_3u	931	894	1.87
18	B_3u	284	273	50.47

Atom	y (Å)	z (Å)
C1	0.000	1.264
C2	0.000	-1.264
N3	1.204	0.663
N4	-1.204	0.663
N5	-1.204	-0.663
N6	1.204	-0.663
H7	0.000	2.358
H8	0.000	-2.358

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5285	1.3458	1.3458	2.2729	2.2729	1.0941	3.6226
C2	2.5285		2.2729	2.2729	1.3458	1.3458	3.6226	1.0941
N3	1.3458	2.2729		2.4085	2.7497	1.3268	2.0792	3.2528
N4	1.3458	2.2729	2.4085		1.3268	2.7497	2.0792	3.2528
N5	2.2729	1.3458	2.7497	1.3268		2.4085	3.2528	2.0792
N6	2.2729	1.3458	1.3268	2.7497	2.4085		3.2528	2.0792
H7	1.0941	3.6226	2.0792	2.0792	3.2528	3.2528		4.7167
H8	3.6226	1.0941	3.2528	3.2528	2.0792	2.0792	4.7167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.518	C1	N4	N5	116.518
C2	N5	N4	116.518	C2	N6	N3	116.518
N3	C1	N4	126.964	N3	C1	H7	116.518
N4	C1	H7	116.518	N5	C2	N6	126.964
N5	C2	H8	116.518	N6	C2	H8	116.518

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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