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	hartrees
Energy at 0K	-295.509168
Energy at 298.15K	-295.514355
Nuclear repulsion energy	211.226453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3277	3088	0.00
2	A_g	1446	1363	0.00
3	A_g	1017	959	0.00
4	A_g	751	707	0.00
5	A_u	341	321	0.00
6	B_1u	3276	3087	4.52
7	B_1u	1234	1162	64.52
8	B_1u	1109	1045	0.07
9	B_2g	985	928	0.00
10	B_2g	805	758	0.00
11	B_2u	1485	1399	6.81
12	B_2u	1230	1159	0.38
13	B_2u	1082	1020	29.55
14	B_3g	1563	1473	0.00
15	B_3g	1344	1266	0.00
16	B_3g	640	603	0.00
17	B_3u	925	872	1.42
18	B_3u	266	250	57.68

Atom	y (Å)	z (Å)
C1	0.000	1.268
C2	0.000	-1.268
N3	1.203	0.670
N4	-1.203	0.670
N5	-1.203	-0.670
N6	1.203	-0.670
H7	0.000	2.353
H8	0.000	-2.353

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5356	1.3434	1.3434	2.2804	2.2804	1.0853	3.6209
C2	2.5356		2.2804	2.2804	1.3434	1.3434	3.6209	1.0853
N3	1.3434	2.2804		2.4057	2.7533	1.3391	2.0691	3.2532
N4	1.3434	2.2804	2.4057		1.3391	2.7533	2.0691	3.2532
N5	2.2804	1.3434	2.7533	1.3391		2.4057	3.2532	2.0691
N6	2.2804	1.3434	1.3391	2.7533	2.4057		3.2532	2.0691
H7	1.0853	3.6209	2.0691	2.0691	3.2532	3.2532		4.7062
H8	3.6209	1.0853	3.2532	3.2532	2.0691	2.0691	4.7062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.445	C1	N4	N5	116.445
C2	N5	N4	116.445	C2	N6	N3	116.445
N3	C1	N4	127.111	N3	C1	H7	116.445
N4	C1	H7	116.445	N5	C2	N6	127.111
N5	C2	H8	116.445	N6	C2	H8	116.445

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

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

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