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	hartrees
Energy at 0K	-295.046189
Energy at 298.15K	-295.051215
Nuclear repulsion energy	205.725691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3280	3117	0.00
2	A_g	1271	1208	0.00
3	A_g	887	843	0.00
4	A_g	729	693	0.00
5	A_u	339	322	0.00
6	B_1u	3279	3115	1.73
7	B_1u	1167	1109	45.22
8	B_1u	1043	991	15.99
9	B_2g	965	917	0.00
10	B_2g	769	730	0.00
11	B_2u	1431	1360	23.08
12	B_2u	1058	1005	0.11
13	B_2u	803	763	18.89
14	B_3g	1443	1371	0.00
15	B_3g	1295	1230	0.00
16	B_3g	634	602	0.00
17	B_3u	918	872	3.07
18	B_3u	267	254	68.98

Atom	y (Å)	z (Å)
C1	0.000	1.307
C2	0.000	-1.307
N3	1.230	0.696
N4	-1.230	0.696
N5	-1.230	-0.696
N6	1.230	-0.696
H7	0.000	2.391
H8	0.000	-2.391

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6138	1.3734	1.3734	2.3507	2.3507	1.0840	3.6978
C2	2.6138		2.3507	2.3507	1.3734	1.3734	3.6978	1.0840
N3	1.3734	2.3507		2.4603	2.8270	1.3925	2.0941	3.3232
N4	1.3734	2.3507	2.4603		1.3925	2.8270	2.0941	3.3232
N5	2.3507	1.3734	2.8270	1.3925		2.4603	3.3232	2.0941
N6	2.3507	1.3734	1.3925	2.8270	2.4603		3.3232	2.0941
H7	1.0840	3.6978	2.0941	2.0941	3.3232	3.3232		4.7818
H8	3.6978	1.0840	3.3232	3.3232	2.0941	2.0941	4.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.400	C1	N4	N5	116.400
C2	N5	N4	116.400	C2	N6	N3	116.400
N3	C1	N4	127.201	N3	C1	H7	116.400
N4	C1	H7	116.400	N5	C2	N6	127.201
N5	C2	H8	116.400	N6	C2	H8	116.400

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

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

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