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	hartrees
Energy at 0K	-295.621370
Energy at 298.15K	-295.626376
HF Energy	-294.669509
Nuclear repulsion energy	212.000985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3267	3097	0.00
2	A_g	1427	1353	0.00
3	A_g	1012	959	0.00
4	A_g	756	717	0.00
5	A_u	296	281	0.00
6	B_1u	3265	3095	3.16
7	B_1u	1221	1157	57.11
8	B_1u	1103	1046	0.36
9	B_2g	877	831	0.00
10	B_2g	586	556	0.00
11	B_2u	1483	1406	4.33
12	B_2u	1201	1138	0.06
13	B_2u	1065	1009	31.29
14	B_3g	1543	1463	0.00
15	B_3g	1348	1277	0.00
16	B_3g	636	603	0.00
17	B_3u	876	830	1.06
18	B_3u	253	240	56.70

Atom	y (Å)	z (Å)
C1	0.000	1.262
C2	0.000	-1.262
N3	1.199	0.667
N4	-1.199	0.667
N5	-1.199	-0.667
N6	1.199	-0.667
H7	0.000	2.343
H8	0.000	-2.343

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5242	1.3391	1.3391	2.2712	2.2712	1.0810	3.6052
C2	2.5242		2.2712	2.2712	1.3391	1.3391	3.6052	1.0810
N3	1.3391	2.2712		2.3988	2.7444	1.3333	2.0613	3.2399
N4	1.3391	2.2712	2.3988		1.3333	2.7444	2.0613	3.2399
N5	2.2712	1.3391	2.7444	1.3333		2.3988	3.2399	2.0613
N6	2.2712	1.3391	1.3333	2.7444	2.3988		3.2399	2.0613
H7	1.0810	3.6052	2.0613	2.0613	3.2399	3.2399		4.6862
H8	3.6052	1.0810	3.2399	3.2399	2.0613	2.0613	4.6862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.403	C1	N4	N5	116.403
C2	N5	N4	116.403	C2	N6	N3	116.403
N3	C1	N4	127.194	N3	C1	H7	116.403
N4	C1	H7	116.403	N5	C2	N6	127.194
N5	C2	H8	116.403	N6	C2	H8	116.403

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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