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	hartrees
Energy at 0K	-293.526340
Energy at 298.15K	-293.531302
Nuclear repulsion energy	205.038602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3249	3102	0.00
2	A_g	1224	1169	0.00
3	A_g	836	798	0.00
4	A_g	727	694	0.00
5	A_u	326	311	0.00
6	B_1u	3247	3101	4.90
7	B_1u	1157	1104	39.90
8	B_1u	1013	967	18.84
9	B_2g	1006	960	0.00
10	B_2g	794	758	0.00
11	B_2u	1433	1369	24.06
12	B_2u	989	944	1.11
13	B_2u	701	669	13.07
14	B_3g	1419	1355	0.00
15	B_3g	1269	1211	0.00
16	B_3g	613	585	0.00
17	B_3u	950	907	3.94
18	B_3u	273	261	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)