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	hartrees
Energy at 0K	-295.527104
Energy at 298.15K	-295.532327
Nuclear repulsion energy	210.815642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3265	3103	0.00
2	A_g	1439	1367	0.00
3	A_g	1016	966	0.00
4	A_g	745	708	0.00
5	A_u	337	321	0.00
6	B_1u	3265	3103	5.28
7	B_1u	1222	1161	62.34
8	B_1u	1109	1054	0.56
9	B_2g	996	947	0.00
10	B_2g	816	776	0.00
11	B_2u	1464	1391	5.25
12	B_2u	1230	1169	0.38
13	B_2u	1083	1030	26.78
14	B_3g	1557	1480	0.00
15	B_3g	1319	1253	0.00
16	B_3g	633	602	0.00
17	B_3u	930	884	1.43
18	B_3u	275	261	51.96

Atom	y (Å)	z (Å)
C1	0.000	1.265
C2	0.000	-1.265
N3	1.208	0.669
N4	-1.208	0.669
N5	-1.208	-0.669
N6	1.208	-0.669
H7	0.000	2.358
H8	0.000	-2.358

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5305	1.3476	1.3476	2.2808	2.2808	1.0932	3.6237
C2	2.5305		2.2808	2.2808	1.3476	1.3476	3.6237	1.0932
N3	1.3476	2.2808		2.4170	2.7627	1.3381	2.0771	3.2598
N4	1.3476	2.2808	2.4170		1.3381	2.7627	2.0771	3.2598
N5	2.2808	1.3476	2.7627	1.3381		2.4170	3.2598	2.0771
N6	2.2808	1.3476	1.3381	2.7627	2.4170		3.2598	2.0771
H7	1.0932	3.6237	2.0771	2.0771	3.2598	3.2598		4.7169
H8	3.6237	1.0932	3.2598	3.2598	2.0771	2.0771	4.7169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.258	C1	N4	N5	116.258
C2	N5	N4	116.258	C2	N6	N3	116.258
N3	C1	N4	127.484	N3	C1	H7	116.258
N4	C1	H7	116.258	N5	C2	N6	127.484
N5	C2	H8	116.258	N6	C2	H8	116.258

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

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

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