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	hartrees
Energy at 0K	-294.934287
Energy at 298.15K	-294.939647
Nuclear repulsion energy	210.409497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3375	3165	0.00
2	A_g	1488	1395	0.00
3	A_g	1055	989	0.00
4	A_g	777	729	0.00
5	A_u	402	377	0.00
6	B_1u	3371	3161	1.02
7	B_1u	1257	1178	74.59
8	B_1u	1110	1041	1.10
9	B_2g	1020	957	0.00
10	B_2g	826	774	0.00
11	B_2u	1514	1420	17.36
12	B_2u	1148	1076	5.74
13	B_2u	789	740	51.04
14	B_3g	1595	1495	0.00
15	B_3g	1372	1287	0.00
16	B_3g	674	632	0.00
17	B_3u	971	910	3.04
18	B_3u	356	334	70.81

Atom	y (Å)	z (Å)
C1	0.000	1.291
C2	0.000	-1.291
N3	1.200	0.671
N4	-1.200	0.671
N5	-1.200	-0.671
N6	1.200	-0.671
H7	0.000	2.367
H8	0.000	-2.367

	C1	C2	N3	N4	N5	N6	H7	H8
C1		2.5823	1.3507	1.3507	2.2997	2.2997	1.0755	3.6578
C2	2.5823		2.2997	2.2997	1.3507	1.3507	3.6578	1.0755
N3	1.3507	2.2997		2.3996	2.7491	1.3415	2.0774	3.2658
N4	1.3507	2.2997	2.3996		1.3415	2.7491	2.0774	3.2658
N5	2.2997	1.3507	2.7491	1.3415		2.3996	3.2658	2.0774
N6	2.2997	1.3507	1.3415	2.7491	2.3996		3.2658	2.0774
H7	1.0755	3.6578	2.0774	2.0774	3.2658	3.2658		4.7333
H8	3.6578	1.0755	3.2658	3.2658	2.0774	2.0774	4.7333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	N6	117.342	C1	N4	N5	117.342
C2	N5	N4	117.342	C2	N6	N3	117.342
N3	C1	N4	125.315	N3	C1	H7	117.342
N4	C1	H7	117.342	N5	C2	N6	125.315
N5	C2	H8	117.342	N6	C2	H8	117.342

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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