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	hartrees
Energy at 0K	-295.069928
Energy at 298.15K	-295.074859
Nuclear repulsion energy	203.525888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3256	3143	0.00
2	A_g	1259	1216	0.00
3	A_g	859	829	0.00
4	A_g	699	675	0.00
5	A_u	340	328	0.00
6	B_1u	3256	3143	2.55
7	B_1u	1145	1105	28.10
8	B_1u	1008	973	24.03
9	B_2g	879	848	0.00
10	B_2g	781	754	0.00
11	B_2u	1391	1342	17.84
12	B_2u	1001	966	0.57
13	B_2u	817	788	25.71
14	B_3g	1397	1349	0.00
15	B_3g	1248	1204	0.00
16	B_3g	610	588	0.00
17	B_3u	865	835	4.45
18	B_3u	267	257	69.07

Atom	y (Å)	z (Å)
C1	0.000	1.322
C2	0.000	-1.322
N3	1.244	0.703
N4	-1.244	0.703
N5	-1.244	-0.703
N6	1.244	-0.703
H7	0.000	2.411
H8	0.000	-2.411

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6443	1.3893	1.3893	2.3769	2.3769	1.0890	3.7333
C2	2.6443		2.3769	2.3769	1.3893	1.3893	3.7333	1.0890
N3	1.3893	2.3769		2.4878	2.8580	1.4066	2.1128	3.3537
N4	1.3893	2.3769	2.4878		1.4066	2.8580	2.1128	3.3537
N5	2.3769	1.3893	2.8580	1.4066		2.4878	3.3537	2.1128
N6	2.3769	1.3893	1.4066	2.8580	2.4878		3.3537	2.1128
H7	1.0890	3.7333	2.1128	2.1128	3.3537	3.3537		4.8223
H8	3.7333	1.0890	3.3537	3.3537	2.1128	2.1128	4.8223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	116.450	C1	N4	N5	116.450
C2	N5	N4	116.450	C2	N6	N3	116.450
N3	C1	N4	127.100	N3	C1	H7	116.450
N4	C1	H7	116.450	N5	C2	N6	127.100
N5	C2	H8	116.450	N6	C2	H8	116.450

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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