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	hartrees
Energy at 0K	-295.886170
Energy at 298.15K	-295.892035
Nuclear repulsion energy	216.453576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3427	3427	0.00
2	A_g	1730	1730	0.00
3	A_g	1176	1176	0.00
4	A_g	827	827	0.00
5	A_u	448	448	0.00
6	B_1u	3425	3425	8.09
7	B_1u	1376	1376	79.05
8	B_1u	1193	1193	7.07
9	B_2g	1096	1096	0.00
10	B_2g	899	899	0.00
11	B_2u	1640	1640	0.78
12	B_2u	1272	1272	25.16
13	B_2u	875	875	98.40
14	B_3g	1788	1788	0.00
15	B_3g	1440	1440	0.00
16	B_3g	705	705	0.00
17	B_3u	1029	1029	0.97
18	B_3u	409	409	58.01

Atom	y (Å)	z (Å)
C1	0.000	1.251
C2	0.000	-1.251
N3	1.170	0.644
N4	-1.170	0.644
N5	-1.170	-0.644
N6	1.170	-0.644
H7	0.000	2.326
H8	0.000	-2.326

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5026	1.3182	1.3182	2.2277	2.2277	1.0742	3.5769
C2	2.5026		2.2277	2.2277	1.3182	1.3182	3.5769	1.0742
N3	1.3182	2.2277		2.3402	2.6716	1.2886	2.0483	3.1921
N4	1.3182	2.2277	2.3402		1.2886	2.6716	2.0483	3.1921
N5	2.2277	1.3182	2.6716	1.2886		2.3402	3.1921	2.0483
N6	2.2277	1.3182	1.2886	2.6716	2.3402		3.1921	2.0483
H7	1.0742	3.5769	2.0483	2.0483	3.1921	3.1921		4.6511
H8	3.5769	1.0742	3.1921	3.1921	2.0483	2.0483	4.6511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.418	C1	N4	N5	117.418
C2	N5	N4	117.418	C2	N6	N3	117.418
N3	C1	N4	125.165	N3	C1	H7	117.418
N4	C1	H7	117.418	N5	C2	N6	125.165
N5	C2	H8	117.418	N6	C2	H8	117.418

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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