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	hartrees
Energy at 0K	-51.670693
Energy at 298.15K	-51.675775
Nuclear repulsion energy	106.435514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3251	3097	0.00
2	A_g	1414	1347	0.00
3	A_g	983	937	0.00
4	A_g	730	696	0.00
5	A_u	321	306	0.00
6	B_1u	3250	3097	4.95
7	B_1u	1200	1143	56.18
8	B_1u	1083	1032	0.75
9	B_2g	908	866	0.00
10	B_2g	761	725	0.00
11	B_2u	1454	1385	5.15
12	B_2u	1199	1142	0.74
13	B_2u	1059	1009	29.56
14	B_3g	1522	1450	0.00
15	B_3g	1310	1248	0.00
16	B_3g	622	592	0.00
17	B_3u	881	840	3.71
18	B_3u	257	244	59.28

Atom	y (Å)	z (Å)
C1	0.000	1.277
C2	0.000	-1.277
N3	1.215	0.676
N4	-1.215	0.676
N5	-1.215	-0.676
N6	1.215	-0.676
H7	0.000	2.363
H8	0.000	-2.363

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5532	1.3549	1.3549	2.2998	2.2998	1.0868	3.6399
C2	2.5532		2.2998	2.2998	1.3549	1.3549	3.6399	1.0868
N3	1.3549	2.2998		2.4293	2.7804	1.3525	2.0789	3.2733
N4	1.3549	2.2998	2.4293		1.3525	2.7804	2.0789	3.2733
N5	2.2998	1.3549	2.7804	1.3525		2.4293	3.2733	2.0789
N6	2.2998	1.3549	1.3525	2.7804	2.4293		3.2733	2.0789
H7	1.0868	3.6399	2.0789	2.0789	3.2733	3.2733		4.7267
H8	3.6399	1.0868	3.2733	3.2733	2.0789	2.0789	4.7267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.301	C1	N4	N5	116.301
C2	N5	N4	116.301	C2	N6	N3	116.301
N3	C1	N4	127.399	N3	C1	H7	116.301
N4	C1	H7	116.301	N5	C2	N6	127.399
N5	C2	H8	116.301	N6	C2	H8	116.301

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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