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	hartrees
Energy at 0K	-293.526340
Energy at 298.15K	-293.531291
Nuclear repulsion energy	205.038602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3249	3080	0.00
2	A_g	1224	1161	0.00
3	A_g	836	793	0.00
4	A_g	727	689	0.00
5	A_u	326	309	0.00
6	B_1u	3247	3078	4.90
7	B_1u	1157	1096	39.90
8	B_1u	1013	960	18.84
9	B_2g	1006	954	0.00
10	B_2g	794	752	0.00
11	B_2u	1433	1359	24.06
12	B_2u	989	938	1.11
13	B_2u	701	664	13.07
14	B_3g	1419	1345	0.00
15	B_3g	1269	1203	0.00
16	B_3g	613	581	0.00
17	B_3u	950	901	3.94
18	B_3u	273	259	60.23

Atom	y (Å)	z (Å)
C1	0.000	1.305
C2	0.000	-1.305
N3	1.231	0.710
N4	-1.231	0.710
N5	-1.231	-0.710
N6	1.231	-0.710
H7	0.000	2.388
H8	0.000	-2.388

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6106	1.3678	1.3678	2.3615	2.3615	1.0826	3.6932
C2	2.6106		2.3615	2.3615	1.3678	1.3678	3.6932	1.0826
N3	1.3678	2.3615		2.4626	2.8424	1.4195	2.0814	3.3334
N4	1.3678	2.3615	2.4626		1.4195	2.8424	2.0814	3.3334
N5	2.3615	1.3678	2.8424	1.4195		2.4626	3.3334	2.0814
N6	2.3615	1.3678	1.4195	2.8424	2.4626		3.3334	2.0814
H7	1.0826	3.6932	2.0814	2.0814	3.3334	3.3334		4.7758
H8	3.6932	1.0826	3.3334	3.3334	2.0814	2.0814	4.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	115.813	C1	N4	N5	115.813
C2	N5	N4	115.813	C2	N6	N3	115.813
N3	C1	N4	128.374	N3	C1	H7	115.813
N4	C1	H7	115.813	N5	C2	N6	128.374
N5	C2	H8	115.813	N6	C2	H8	115.813

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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