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	hartrees
Energy at 0K	-295.585558
Energy at 298.15K	-295.590741
HF Energy	-294.645292
Nuclear repulsion energy	211.526954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3254	3092	0.00
2	A_g	1436	1365	0.00
3	A_g	1013	962	0.00
4	A_g	748	711	0.00
5	A_u	330	313	0.00
6	B_1u	3253	3092	4.85
7	B_1u	1220	1160	60.80
8	B_1u	1106	1051	0.02
9	B_2g	968	920	0.00
10	B_2g	801	761	0.00
11	B_2u	1469	1396	5.98
12	B_2u	1209	1149	0.07
13	B_2u	1080	1026	31.18
14	B_3g	1549	1472	0.00
15	B_3g	1325	1259	0.00
16	B_3g	635	603	0.00
17	B_3u	916	870	2.42
18	B_3u	272	258	57.57

Atom	y (Å)	z (Å)
C1	0.000	1.268
C2	0.000	-1.268
N3	1.203	0.656
N4	-1.203	0.656
N5	-1.203	-0.656
N6	1.203	-0.656
H7	0.000	2.349
H8	0.000	-2.349

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5355	1.3500	1.3500	2.2690	2.2690	1.0816	3.6171
C2	2.5355		2.2690	2.2690	1.3500	1.3500	3.6171	1.0816
N3	1.3500	2.2690		2.4067	2.7410	1.3118	2.0774	3.2372
N4	1.3500	2.2690	2.4067		1.3118	2.7410	2.0774	3.2372
N5	2.2690	1.3500	2.7410	1.3118		2.4067	3.2372	2.0774
N6	2.2690	1.3500	1.3118	2.7410	2.4067		3.2372	2.0774
H7	1.0816	3.6171	2.0774	2.0774	3.2372	3.2372		4.6986
H8	3.6171	1.0816	3.2372	3.2372	2.0774	2.0774	4.6986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.951	C1	N4	N5	116.951
C2	N5	N4	116.951	C2	N6	N3	116.951
N3	C1	N4	126.099	N3	C1	H7	116.951
N4	C1	H7	116.951	N5	C2	N6	126.099
N5	C2	H8	116.951	N6	C2	H8	116.951

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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