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	hartrees
Energy at 0K	-295.508174
Energy at 298.15K	-295.513466
HF Energy	-294.588398
Nuclear repulsion energy	212.665864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3297	3094	0.00
2	A_g	1547	1451	0.00
3	A_g	1080	1014	0.00
4	A_g	769	722	0.00
5	A_u	370	348	0.00
6	B_1u	3296	3093	4.62
7	B_1u	1277	1199	67.69
8	B_1u	1127	1058	2.13
9	B_2g	999	937	0.00
10	B_2g	816	765	0.00
11	B_2u	1530	1436	5.12
12	B_2u	1185	1112	11.09
13	B_2u	885	830	62.82
14	B_3g	1644	1543	0.00
15	B_3g	1365	1281	0.00
16	B_3g	659	618	0.00
17	B_3u	940	882	1.92
18	B_3u	320	301	54.54

Atom	y (Å)	z (Å)
C1	0.000	1.264
C2	0.000	-1.264
N3	1.194	0.654
N4	-1.194	0.654
N5	-1.194	-0.654
N6	1.194	-0.654
H7	0.000	2.344
H8	0.000	-2.344

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5288	1.3413	1.3413	2.2593	2.2593	1.0795	3.6083
C2	2.5288		2.2593	2.2593	1.3413	1.3413	3.6083	1.0795
N3	1.3413	2.2593		2.3883	2.7226	1.3071	2.0696	3.2266
N4	1.3413	2.2593	2.3883		1.3071	2.7226	2.0696	3.2266
N5	2.2593	1.3413	2.7226	1.3071		2.3883	3.2266	2.0696
N6	2.2593	1.3413	1.3071	2.7226	2.3883		3.2266	2.0696
H7	1.0795	3.6083	2.0696	2.0696	3.2266	3.2266		4.6878
H8	3.6083	1.0795	3.2266	3.2266	2.0696	2.0696	4.6878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.092	C1	N4	N5	117.092
C2	N5	N4	117.092	C2	N6	N3	117.092
N3	C1	N4	125.815	N3	C1	H7	117.092
N4	C1	H7	117.092	N5	C2	N6	125.815
N5	C2	H8	117.092	N6	C2	H8	117.092

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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