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	hartrees
Energy at 0K	-293.411212
Energy at 298.15K	-293.416477
Nuclear repulsion energy	209.954109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3345	3116	0.00
2	A_g	1411	1315	0.00
3	A_g	1006	937	0.00
4	A_g	783	730	0.00
5	A_u	389	362	0.00
6	B_1u	3342	3113	3.62
7	B_1u	1233	1148	72.13
8	B_1u	1100	1025	2.98
9	B_2g	1059	986	0.00
10	B_2g	845	787	0.00
11	B_2u	1497	1394	20.41
12	B_2u	1106	1031	1.62
13	B_2u	599	558	39.15
14	B_3g	1538	1433	0.00
15	B_3g	1379	1285	0.00
16	B_3g	658	613	0.00
17	B_3u	1000	932	3.24
18	B_3u	363	338	64.62

Atom	y (Å)	z (Å)
C1	0.000	1.290
C2	0.000	-1.290
N3	1.200	0.681
N4	-1.200	0.681
N5	-1.200	-0.681
N6	1.200	-0.681
H7	0.000	2.365
H8	0.000	-2.365

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5805	1.3455	1.3455	2.3072	2.3072	1.0745	3.6550
C2	2.5805		2.3072	2.3072	1.3455	1.3455	3.6550	1.0745
N3	1.3455	2.3072		2.3990	2.7583	1.3612	2.0676	3.2731
N4	1.3455	2.3072	2.3990		1.3612	2.7583	2.0676	3.2731
N5	2.3072	1.3455	2.7583	1.3612		2.3990	3.2731	2.0676
N6	2.3072	1.3455	1.3612	2.7583	2.3990		3.2731	2.0676
H7	1.0745	3.6550	2.0676	2.0676	3.2731	3.2731		4.7295
H8	3.6550	1.0745	3.2731	3.2731	2.0676	2.0676	4.7295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.943	C1	N4	N5	116.943
C2	N5	N4	116.943	C2	N6	N3	116.943
N3	C1	N4	126.115	N3	C1	H7	116.943
N4	C1	H7	116.943	N5	C2	N6	126.115
N5	C2	H8	116.943	N6	C2	H8	116.943

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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