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	hartrees
Energy at 0K	-291.219006
Energy at 298.15K	-291.223501
Nuclear repulsion energy	200.999463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3494	3106	0.00
2	A_g	1327	1180	0.00
3	A_g	929	826	0.00
4	A_g	706	628	0.00
5	A_u	299	266	0.00
6	B_1u	3496	3108	15.49
7	B_1u	1167	1037	43.87
8	B_1u	1080	960	13.87
9	B_2g	980	871	0.00
10	B_2g	791	703	0.00
11	B_2u	1465	1302	29.51
12	B_2u	1042	926	4.77
13	B_2u	516	459	26.02
14	B_3g	1489	1323	0.00
15	B_3g	1297	1153	0.00
16	B_3g	622	553	0.00
17	B_3u	902	802	0.05
18	B_3u	276	246	26.03

Atom	y (Å)	z (Å)
C1	0.000	1.301
C2	0.000	-1.301
N3	1.277	0.715
N4	-1.277	0.715
N5	-1.277	-0.715
N6	1.277	-0.715
H7	0.000	2.409
H8	0.000	-2.409

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.6028	1.4055	1.4055	2.3873	2.3873	1.1071	3.7099
C2	2.6028		2.3873	2.3873	1.4055	1.4055	3.7099	1.1071
N3	1.4055	2.3873		2.5550	2.9283	1.4307	2.1210	3.3750
N4	1.4055	2.3873	2.5550		1.4307	2.9283	2.1210	3.3750
N5	2.3873	1.4055	2.9283	1.4307		2.5550	3.3750	2.1210
N6	2.3873	1.4055	1.4307	2.9283	2.5550		3.3750	2.1210
H7	1.1071	3.7099	2.1210	2.1210	3.3750	3.3750		4.8171
H8	3.7099	1.1071	3.3750	3.3750	2.1210	2.1210	4.8171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	114.642	C1	N4	N5	114.642
C2	N5	N4	114.642	C2	N6	N3	114.642
N3	C1	N4	130.715	N3	C1	H7	114.642
N4	C1	H7	114.642	N5	C2	N6	130.715
N5	C2	H8	114.642	N6	C2	H8	114.642

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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