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	hartrees
Energy at 0K	-296.146642
Energy at 298.15K	-296.152514
Nuclear repulsion energy	216.354154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3447	3248	0.00
2	A_g	1733	1633	0.00
3	A_g	1178	1110	0.00
4	A_g	825	778	0.00
5	A_u	451	425	0.00
6	B_1u	3445	3246	9.27
7	B_1u	1380	1301	79.95
8	B_1u	1191	1122	6.42
9	B_2g	1103	1039	0.00
10	B_2g	898	846	0.00
11	B_2u	1647	1552	0.99
12	B_2u	1274	1200	23.59
13	B_2u	886	835	99.92
14	B_3g	1792	1688	0.00
15	B_3g	1449	1366	0.00
16	B_3g	707	666	0.00
17	B_3u	1035	975	1.17
18	B_3u	409	386	57.79

Atom	y (Å)	z (Å)
C1	0.000	1.268
C2	0.000	-1.268
N3	1.203	0.670
N4	-1.203	0.670
N5	-1.203	-0.670
N6	1.203	-0.670
H7	0.000	2.353
H8	0.000	-2.353

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5356	1.3434	1.3434	2.2804	2.2804	1.0853	3.6209
C2	2.5356		2.2804	2.2804	1.3434	1.3434	3.6209	1.0853
N3	1.3434	2.2804		2.4057	2.7533	1.3391	2.0691	3.2532
N4	1.3434	2.2804	2.4057		1.3391	2.7533	2.0691	3.2532
N5	2.2804	1.3434	2.7533	1.3391		2.4057	3.2532	2.0691
N6	2.2804	1.3434	1.3391	2.7533	2.4057		3.2532	2.0691
H7	1.0853	3.6209	2.0691	2.0691	3.2532	3.2532		4.7062
H8	3.6209	1.0853	3.2532	3.2532	2.0691	2.0691	4.7062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.449	C1	N4	N5	117.449
C2	N5	N4	117.449	C2	N6	N3	117.449
N3	C1	N4	125.102	N3	C1	H7	117.449
N4	C1	H7	117.449	N5	C2	N6	125.102
N5	C2	H8	117.449	N6	C2	H8	117.449

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

using model chemistry: G3

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: G3

States and conformations

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