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	hartrees
Energy at 0K	-295.582184
Energy at 298.15K	-295.587468
Nuclear repulsion energy	212.838320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3246	3101	0.00
2	A_g	1535	1466	0.00
3	A_g	1068	1020	0.00
4	A_g	764	730	0.00
5	A_u	361	345	0.00
6	B_1u	3245	3100	6.15
7	B_1u	1260	1203	62.14
8	B_1u	1125	1075	1.80
9	B_2g	978	934	0.00
10	B_2g	813	777	0.00
11	B_2u	1508	1440	4.02
12	B_2u	1170	1117	13.24
13	B_2u	883	843	57.47
14	B_3g	1625	1552	0.00
15	B_3g	1341	1281	0.00
16	B_3g	652	623	0.00
17	B_3u	926	885	2.92
18	B_3u	323	309	53.56

Atom	y (Å)	z (Å)
C1	0.000	1.261
C2	0.000	-1.261
N3	1.195	0.659
N4	-1.195	0.659
N5	-1.195	-0.659
N6	1.195	-0.659
H7	0.000	2.346
H8	0.000	-2.346

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5220	1.3374	1.3374	2.2616	2.2616	1.0854	3.6074
C2	2.5220		2.2616	2.2616	1.3374	1.3374	3.6074	1.0854
N3	1.3374	2.2616		2.3890	2.7289	1.3189	2.0671	3.2345
N4	1.3374	2.2616	2.3890		1.3189	2.7289	2.0671	3.2345
N5	2.2616	1.3374	2.7289	1.3189		2.3890	3.2345	2.0671
N6	2.2616	1.3374	1.3189	2.7289	2.3890		3.2345	2.0671
H7	1.0854	3.6074	2.0671	2.0671	3.2345	3.2345		4.6929
H8	3.6074	1.0854	3.2345	3.2345	2.0671	2.0671	4.6929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.730	C1	N4	N5	116.730
C2	N5	N4	116.730	C2	N6	N3	116.730
N3	C1	N4	126.541	N3	C1	H7	116.730
N4	C1	H7	116.730	N5	C2	N6	126.541
N5	C2	H8	116.730	N6	C2	H8	116.730

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

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

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