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	hartrees
Energy at 0K	-291.217378
Energy at 298.15K	-291.221871
Nuclear repulsion energy	200.973226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3493	3046	0.00
2	A_g	1327	1157	0.00
3	A_g	929	810	0.00
4	A_g	706	615	0.00
5	A_u	299	261	0.00
6	B_1u	3496	3048	15.50
7	B_1u	1167	1017	43.77
8	B_1u	1080	942	13.99
9	B_2g	980	855	0.00
10	B_2g	791	690	0.00
11	B_2u	1465	1277	29.51
12	B_2u	1041	908	4.78
13	B_2u	514	449	26.14
14	B_3g	1488	1298	0.00
15	B_3g	1297	1131	0.00
16	B_3g	621	542	0.00
17	B_3u	902	786	0.05
18	B_3u	276	241	26.04

Atom	y (Å)	z (Å)
C1	0.000	1.302
C2	0.000	-1.302
N3	1.278	0.715
N4	-1.278	0.715
N5	-1.278	-0.715
N6	1.278	-0.715
H7	0.000	2.409
H8	0.000	-2.409

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6030	1.4057	1.4057	2.3876	2.3876	1.1072	3.7103
C2	2.6030		2.3876	2.3876	1.4057	1.4057	3.7103	1.1072
N3	1.4057	2.3876		2.5553	2.9287	1.4309	2.1212	3.3754
N4	1.4057	2.3876	2.5553		1.4309	2.9287	2.1212	3.3754
N5	2.3876	1.4057	2.9287	1.4309		2.5553	3.3754	2.1212
N6	2.3876	1.4057	1.4309	2.9287	2.5553		3.3754	2.1212
H7	1.1072	3.7103	2.1212	2.1212	3.3754	3.3754		4.8175
H8	3.7103	1.1072	3.3754	3.3754	2.1212	2.1212	4.8175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	114.641	C1	N4	N5	114.641
C2	N5	N4	114.641	C2	N6	N3	114.641
N3	C1	N4	130.718	N3	C1	H7	114.641
N4	C1	H7	114.641	N5	C2	N6	130.718
N5	C2	H8	114.641	N6	C2	H8	114.641

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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