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	hartrees
Energy at 0K	-295.513190
Energy at 298.15K	-295.518407
Nuclear repulsion energy	210.655908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3260	3105	0.00
2	A_g	1435	1367	0.00
3	A_g	1014	965	0.00
4	A_g	744	709	0.00
5	A_u	337	321	0.00
6	B_1u	3259	3104	5.41
7	B_1u	1219	1161	62.40
8	B_1u	1108	1055	0.51
9	B_2g	994	947	0.00
10	B_2g	814	776	0.00
11	B_2u	1461	1392	5.29
12	B_2u	1226	1168	0.39
13	B_2u	1081	1030	26.79
14	B_3g	1554	1480	0.00
15	B_3g	1316	1254	0.00
16	B_3g	633	603	0.00
17	B_3u	928	884	1.46
18	B_3u	274	261	51.91

Atom	y (Å)	z (Å)
C1	0.000	1.266
C2	0.000	-1.266
N3	1.209	0.670
N4	-1.209	0.670
N5	-1.209	-0.670
N6	1.209	-0.670
H7	0.000	2.360
H8	0.000	-2.360

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5321	1.3486	1.3486	2.2824	2.2824	1.0942	3.6263
C2	2.5321		2.2824	2.2824	1.3486	1.3486	3.6263	1.0942
N3	1.3486	2.2824		2.4190	2.7649	1.3391	2.0788	3.2623
N4	1.3486	2.2824	2.4190		1.3391	2.7649	2.0788	3.2623
N5	2.2824	1.3486	2.7649	1.3391		2.4190	3.2623	2.0788
N6	2.2824	1.3486	1.3391	2.7649	2.4190		3.2623	2.0788
H7	1.0942	3.6263	2.0788	2.0788	3.2623	3.2623		4.7205
H8	3.6263	1.0942	3.2623	3.2623	2.0788	2.0788	4.7205

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.252	C1	N4	N5	116.252
C2	N5	N4	116.252	C2	N6	N3	116.252
N3	C1	N4	127.495	N3	C1	H7	116.252
N4	C1	H7	116.252	N5	C2	N6	127.495
N5	C2	H8	116.252	N6	C2	H8	116.252

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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