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	hartrees
Energy at 0K	-295.541512
Energy at 298.15K	-295.546778
HF Energy	-294.599390
Nuclear repulsion energy	212.675895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3337	3108	0.00
2	A_g	1545	1439	0.00
3	A_g	1077	1004	0.00
4	A_g	767	715	0.00
5	A_u	352	328	0.00
6	B_1u	3336	3108	2.80
7	B_1u	1272	1185	61.84
8	B_1u	1125	1048	0.66
9	B_2g	989	921	0.00
10	B_2g	779	726	0.00
11	B_2u	1531	1427	2.75
12	B_2u	1185	1104	8.23
13	B_2u	888	827	68.19
14	B_3g	1641	1528	0.00
15	B_3g	1368	1275	0.00
16	B_3g	658	613	0.00
17	B_3u	939	875	2.05
18	B_3u	312	291	54.45

Atom	y (Å)	z (Å)
C1	0.000	1.265
C2	0.000	-1.265
N3	1.195	0.653
N4	-1.195	0.653
N5	-1.195	-0.653
N6	1.195	-0.653
H7	0.000	2.338
H8	0.000	-2.338

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5302	1.3423	1.3423	2.2600	2.2600	1.0729	3.6031
C2	2.5302		2.2600	2.2600	1.3423	1.3423	3.6031	1.0729
N3	1.3423	2.2600		2.3896	2.7234	1.3066	2.0654	3.2210
N4	1.3423	2.2600	2.3896		1.3066	2.7234	2.0654	3.2210
N5	2.2600	1.3423	2.7234	1.3066		2.3896	3.2210	2.0654
N6	2.2600	1.3423	1.3066	2.7234	2.3896		3.2210	2.0654
H7	1.0729	3.6031	2.0654	2.0654	3.2210	3.2210		4.6760
H8	3.6031	1.0729	3.2210	3.2210	2.0654	2.0654	4.6760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.115	C1	N4	N5	117.115
C2	N5	N4	117.115	C2	N6	N3	117.115
N3	C1	N4	125.770	N3	C1	H7	117.115
N4	C1	H7	117.115	N5	C2	N6	125.770
N5	C2	H8	117.115	N6	C2	H8	117.115

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

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

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/6-31+G**

States and conformations

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