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	hartrees
Energy at 0K	-294.930705
Energy at 298.15K	-294.936078
Nuclear repulsion energy	210.519876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3377	3158	0.00
2	A_g	1494	1397	0.00
3	A_g	1058	990	0.00
4	A_g	779	728	0.00
5	A_u	405	379	0.00
6	B_1u	3373	3155	1.01
7	B_1u	1261	1179	75.14
8	B_1u	1114	1042	1.13
9	B_2g	1020	954	0.00
10	B_2g	826	773	0.00
11	B_2u	1517	1419	17.30
12	B_2u	1152	1077	5.87
13	B_2u	798	746	51.43
14	B_3g	1600	1497	0.00
15	B_3g	1374	1285	0.00
16	B_3g	676	632	0.00
17	B_3u	971	908	2.92
18	B_3u	360	337	70.69

Atom	y (Å)	z (Å)
C1	0.000	1.291
C2	0.000	-1.291
N3	1.199	0.670
N4	-1.199	0.670
N5	-1.199	-0.670
N6	1.199	-0.670
H7	0.000	2.366
H8	0.000	-2.366

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5811	1.3501	1.3501	2.2984	2.2984	1.0754	3.6565
C2	2.5811		2.2984	2.2984	1.3501	1.3501	3.6565	1.0754
N3	1.3501	2.2984		2.3983	2.7475	1.3405	2.0769	3.2645
N4	1.3501	2.2984	2.3983		1.3405	2.7475	2.0769	3.2645
N5	2.2984	1.3501	2.7475	1.3405		2.3983	3.2645	2.0769
N6	2.2984	1.3501	1.3405	2.7475	2.3983		3.2645	2.0769
H7	1.0754	3.6565	2.0769	2.0769	3.2645	3.2645		4.7319
H8	3.6565	1.0754	3.2645	3.2645	2.0769	2.0769	4.7319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.350	C1	N4	N5	117.350
C2	N5	N4	117.350	C2	N6	N3	117.350
N3	C1	N4	125.299	N3	C1	H7	117.350
N4	C1	H7	117.350	N5	C2	N6	125.299
N5	C2	H8	117.350	N6	C2	H8	117.350

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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