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	hartrees
Energy at 0K	-295.714145
Energy at 298.15K	-295.719414
Nuclear repulsion energy	212.557180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3274	3078	0.00
2	A_g	1456	1369	0.00
3	A_g	1027	965	0.00
4	A_g	751	706	0.00
5	A_u	362	340	0.00
6	B_1u	3274	3077	2.43
7	B_1u	1230	1156	65.78
8	B_1u	1109	1043	0.27
9	B_2g	1034	972	0.00
10	B_2g	844	794	0.00
11	B_2u	1472	1384	4.84
12	B_2u	1262	1186	0.79
13	B_2u	1098	1032	27.27
14	B_3g	1551	1458	0.00
15	B_3g	1338	1257	0.00
16	B_3g	639	600	0.00
17	B_3u	959	902	0.43
18	B_3u	269	253	52.37

Atom	y (Å)	z (Å)
C1	0.000	1.258
C2	0.000	-1.258
N3	1.196	0.665
N4	-1.196	0.665
N5	-1.196	-0.665
N6	1.196	-0.665
H7	0.000	2.340
H8	0.000	-2.340

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5169	1.3356	1.3356	2.2647	2.2647	1.0816	3.5985
C2	2.5169		2.2647	2.2647	1.3356	1.3356	3.5985	1.0816
N3	1.3356	2.2647		2.3926	2.7369	1.3290	2.0587	3.2340
N4	1.3356	2.2647	2.3926		1.3290	2.7369	2.0587	3.2340
N5	2.2647	1.3356	2.7369	1.3290		2.3926	3.2340	2.0587
N6	2.2647	1.3356	1.3290	2.7369	2.3926		3.2340	2.0587
H7	1.0816	3.5985	2.0587	2.0587	3.2340	3.2340		4.6801
H8	3.5985	1.0816	3.2340	3.2340	2.0587	2.0587	4.6801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.404	C1	N4	N5	116.404
C2	N5	N4	116.404	C2	N6	N3	116.404
N3	C1	N4	127.193	N3	C1	H7	116.404
N4	C1	H7	116.404	N5	C2	N6	127.193
N5	C2	H8	116.404	N6	C2	H8	116.404

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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