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	hartrees
Energy at 0K	-295.415386
Energy at 298.15K	-295.420849
Nuclear repulsion energy	215.134514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3358	3120	0.00
2	A_g	1639	1522	0.00
3	A_g	1129	1049	0.00
4	A_g	796	739	0.00
5	A_u	399	371	0.00
6	B_1u	3357	3119	5.93
7	B_1u	1322	1228	69.31
8	B_1u	1158	1076	3.94
9	B_2g	1040	966	0.00
10	B_2g	859	798	0.00
11	B_2u	1576	1465	2.19
12	B_2u	1225	1138	19.32
13	B_2u	929	863	73.28
14	B_3g	1711	1589	0.00
15	B_3g	1393	1294	0.00
16	B_3g	677	629	0.00
17	B_3u	982	912	2.20
18	B_3u	358	333	57.35

Atom	y (Å)	z (Å)
C1	0.000	1.253
C2	0.000	-1.253
N3	1.179	0.651
N4	-1.179	0.651
N5	-1.179	-0.651
N6	1.179	-0.651
H7	0.000	2.330
H8	0.000	-2.330

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5067	1.3244	1.3244	2.2397	2.2397	1.0763	3.5831
C2	2.5067		2.2397	2.2397	1.3244	1.3244	3.5831	1.0763
N3	1.3244	2.2397		2.3587	2.6939	1.3014	2.0518	3.2052
N4	1.3244	2.2397	2.3587		1.3014	2.6939	2.0518	3.2052
N5	2.2397	1.3244	2.6939	1.3014		2.3587	3.2052	2.0518
N6	2.2397	1.3244	1.3014	2.6939	2.3587		3.2052	2.0518
H7	1.0763	3.5831	2.0518	2.0518	3.2052	3.2052		4.6594
H8	3.5831	1.0763	3.2052	3.2052	2.0518	2.0518	4.6594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.068	C1	N4	N5	117.068
C2	N5	N4	117.068	C2	N6	N3	117.068
N3	C1	N4	125.863	N3	C1	H7	117.068
N4	C1	H7	117.068	N5	C2	N6	125.863
N5	C2	H8	117.068	N6	C2	H8	117.068

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

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

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