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	hartrees
Energy at 0K	-293.415771
Energy at 298.15K	-293.421004
Nuclear repulsion energy	209.799169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3342	3123	0.00
2	A_g	1404	1312	0.00
3	A_g	1002	936	0.00
4	A_g	781	730	0.00
5	A_u	385	360	0.00
6	B_1u	3339	3120	3.68
7	B_1u	1227	1147	71.54
8	B_1u	1096	1024	2.92
9	B_2g	1058	989	0.00
10	B_2g	844	788	0.00
11	B_2u	1494	1396	20.40
12	B_2u	1101	1029	1.55
13	B_2u	586	547	39.21
14	B_3g	1532	1431	0.00
15	B_3g	1377	1286	0.00
16	B_3g	656	613	0.00
17	B_3u	1000	934	3.34
18	B_3u	358	334	64.78

Atom	y (Å)	z (Å)
C1	0.000	1.291
C2	0.000	-1.291
N3	1.200	0.681
N4	-1.200	0.681
N5	-1.200	-0.681
N6	1.200	-0.681
H7	0.000	2.366
H8	0.000	-2.366

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5820	1.3464	1.3464	2.3089	2.3089	1.0746	3.6565
C2	2.5820		2.3089	2.3089	1.3464	1.3464	3.6565	1.0746
N3	1.3464	2.3089		2.4009	2.7607	1.3627	2.0682	3.2749
N4	1.3464	2.3089	2.4009		1.3627	2.7607	2.0682	3.2749
N5	2.3089	1.3464	2.7607	1.3627		2.4009	3.2749	2.0682
N6	2.3089	1.3464	1.3627	2.7607	2.4009		3.2749	2.0682
H7	1.0746	3.6565	2.0682	2.0682	3.2749	3.2749		4.7311
H8	3.6565	1.0746	3.2749	3.2749	2.0682	2.0682	4.7311

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.923	C1	N4	N5	116.923
C2	N5	N4	116.923	C2	N6	N3	116.923
N3	C1	N4	126.155	N3	C1	H7	116.923
N4	C1	H7	116.923	N5	C2	N6	126.155
N5	C2	H8	116.923	N6	C2	H8	116.923

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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