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	hartrees
Energy at 0K	-51.609069
Energy at 298.15K	-51.614219
Nuclear repulsion energy	106.023206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3265	3100	0.00
2	A_g	1427	1355	0.00
3	A_g	987	937	0.00
4	A_g	730	693	0.00
5	A_u	340	323	0.00
6	B_1u	3259	3094	7.01
7	B_1u	1194	1134	57.13
8	B_1u	1090	1035	1.24
9	B_2g	977	928	0.00
10	B_2g	805	764	0.00
11	B_2u	1453	1380	4.79
12	B_2u	1220	1158	1.65
13	B_2u	1074	1020	29.92
14	B_3g	1527	1450	0.00
15	B_3g	1312	1246	0.00
16	B_3g	619	588	0.00
17	B_3u	922	875	4.48
18	B_3u	271	258	59.43

Atom	y (Å)	z (Å)
C1	0.000	1.278
C2	0.000	-1.278
N3	1.221	0.678
N4	-1.221	0.678
N5	-1.221	-0.678
N6	1.221	-0.678
H7	0.000	2.372
H8	0.000	-2.372

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5556	1.3606	1.3606	2.3061	2.3061	1.0938	3.6494
C2	2.5556		2.3061	2.3061	1.3606	1.3606	3.6494	1.0938
N3	1.3606	2.3061		2.4428	2.7942	1.3565	2.0879	3.2853
N4	1.3606	2.3061	2.4428		1.3565	2.7942	2.0879	3.2853
N5	2.3061	1.3606	2.7942	1.3565		2.4428	3.2853	2.0879
N6	2.3061	1.3606	1.3565	2.7942	2.4428		3.2853	2.0879
H7	1.0938	3.6494	2.0879	2.0879	3.2853	3.2853		4.7432
H8	3.6494	1.0938	3.2853	3.2853	2.0879	2.0879	4.7432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.146	C1	N4	N5	116.146
C2	N5	N4	116.146	C2	N6	N3	116.146
N3	C1	N4	127.708	N3	C1	H7	116.146
N4	C1	H7	116.146	N5	C2	N6	127.708
N5	C2	H8	116.146	N6	C2	H8	116.146

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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