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	hartrees
Energy at 0K	-295.662505
Energy at 298.15K	-295.667727
Nuclear repulsion energy	211.928662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3263	3082	0.00
2	A_g	1442	1362	0.00
3	A_g	1020	963	0.00
4	A_g	746	705	0.00
5	A_u	347	327	0.00
6	B_1u	3263	3082	2.36
7	B_1u	1223	1155	65.23
8	B_1u	1104	1043	0.30
9	B_2g	1014	958	0.00
10	B_2g	823	778	0.00
11	B_2u	1469	1388	5.12
12	B_2u	1248	1179	0.68
13	B_2u	1090	1029	27.16
14	B_3g	1545	1459	0.00
15	B_3g	1332	1258	0.00
16	B_3g	634	599	0.00
17	B_3u	944	891	0.58
18	B_3u	263	248	52.03

Atom	y (Å)	z (Å)
C1	0.000	1.261
C2	0.000	-1.261
N3	1.201	0.666
N4	-1.201	0.666
N5	-1.201	-0.666
N6	1.201	-0.666
H7	0.000	2.345
H8	0.000	-2.345

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5228	1.3399	1.3399	2.2710	2.2710	1.0834	3.6062
C2	2.5228		2.2710	2.2710	1.3399	1.3399	3.6062	1.0834
N3	1.3399	2.2710		2.4010	2.7461	1.3328	2.0636	3.2417
N4	1.3399	2.2710	2.4010		1.3328	2.7461	2.0636	3.2417
N5	2.2710	1.3399	2.7461	1.3328		2.4010	3.2417	2.0636
N6	2.2710	1.3399	1.3328	2.7461	2.4010		3.2417	2.0636
H7	1.0834	3.6062	2.0636	2.0636	3.2417	3.2417		4.6896
H8	3.6062	1.0834	3.2417	3.2417	2.0636	2.0636	4.6896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.366	C1	N4	N5	116.366
C2	N5	N4	116.366	C2	N6	N3	116.366
N3	C1	N4	127.268	N3	C1	H7	116.366
N4	C1	H7	116.366	N5	C2	N6	127.268
N5	C2	H8	116.366	N6	C2	H8	116.366

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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