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	hartrees
Energy at 0K	-295.585175
Energy at 298.15K	-295.590357
Nuclear repulsion energy	210.391891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3257	3156	0.00
2	A_g	1419	1376	0.00
3	A_g	1000	970	0.00
4	A_g	735	712	0.00
5	A_u	336	325	0.00
6	B_1u	3256	3156	2.89
7	B_1u	1205	1168	58.11
8	B_1u	1097	1063	0.00
9	B_2g	980	949	0.00
10	B_2g	802	777	0.00
11	B_2u	1454	1409	3.94
12	B_2u	1242	1204	1.68
13	B_2u	1072	1039	25.12
14	B_3g	1535	1488	0.00
15	B_3g	1313	1272	0.00
16	B_3g	627	608	0.00
17	B_3u	915	887	1.46
18	B_3u	259	251	53.13

Atom	y (Å)	z (Å)
C1	0.000	1.272
C2	0.000	-1.272
N3	1.209	0.671
N4	-1.209	0.671
N5	-1.209	-0.671
N6	1.209	-0.671
H7	0.000	2.363
H8	0.000	-2.363

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5439	1.3501	1.3501	2.2882	2.2882	1.0911	3.6350
C2	2.5439		2.2882	2.2882	1.3501	1.3501	3.6350	1.0911
N3	1.3501	2.2882		2.4177	2.7650	1.3416	2.0796	3.2658
N4	1.3501	2.2882	2.4177		1.3416	2.7650	2.0796	3.2658
N5	2.2882	1.3501	2.7650	1.3416		2.4177	3.2658	2.0796
N6	2.2882	1.3501	1.3416	2.7650	2.4177		3.2658	2.0796
H7	1.0911	3.6350	2.0796	2.0796	3.2658	3.2658		4.7261
H8	3.6350	1.0911	3.2658	3.2658	2.0796	2.0796	4.7261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.441	C1	N4	N5	116.441
C2	N5	N4	116.441	C2	N6	N3	116.441
N3	C1	N4	127.119	N3	C1	H7	116.441
N4	C1	H7	116.441	N5	C2	N6	127.119
N5	C2	H8	116.441	N6	C2	H8	116.441

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

using model chemistry: MP2=FULL/aug-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/aug-cc-pVDZ

States and conformations

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