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	hartrees
Energy at 0K	-295.498197
Energy at 298.15K	-295.503366
Nuclear repulsion energy	211.869264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3105	0.00
2	A_g	1516	1444	0.00
3	A_g	1056	1006	0.00
4	A_g	758	722	0.00
5	A_u	344	328	0.00
6	B_1u	3259	3104	7.19
7	B_1u	1253	1193	62.49
8	B_1u	1109	1056	2.01
9	B_2g	984	937	0.00
10	B_2g	806	768	0.00
11	B_2u	1506	1434	5.41
12	B_2u	1163	1107	9.76
13	B_2u	842	802	64.49
14	B_3g	1612	1535	0.00
15	B_3g	1349	1285	0.00
16	B_3g	651	620	0.00
17	B_3u	924	880	2.06
18	B_3u	277	264	55.44

Atom	y (Å)	z (Å)
C1	0.000	1.267
C2	0.000	-1.267
N3	1.199	0.664
N4	-1.199	0.664
N5	-1.199	-0.664
N6	1.199	-0.664
H7	0.000	2.353
H8	0.000	-2.353

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5333	1.3423	1.3423	2.2730	2.2730	1.0862	3.6195
C2	2.5333		2.2730	2.2730	1.3423	1.3423	3.6195	1.0862
N3	1.3423	2.2730		2.3989	2.7421	1.3281	2.0714	3.2466
N4	1.3423	2.2730	2.3989		1.3281	2.7421	2.0714	3.2466
N5	2.2730	1.3423	2.7421	1.3281		2.3989	3.2466	2.0714
N6	2.2730	1.3423	1.3281	2.7421	2.3989		3.2466	2.0714
H7	1.0862	3.6195	2.0714	2.0714	3.2466	3.2466		4.7057
H8	3.6195	1.0862	3.2466	3.2466	2.0714	2.0714	4.7057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.674	C1	N4	N5	116.674
C2	N5	N4	116.674	C2	N6	N3	116.674
N3	C1	N4	126.652	N3	C1	H7	116.674
N4	C1	H7	116.674	N5	C2	N6	126.652
N5	C2	H8	116.674	N6	C2	H8	116.674

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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