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	hartrees
Energy at 0K	-44.400053
Energy at 298.15K	-44.405884
HF Energy	-43.624664
Nuclear repulsion energy	104.277838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3082	7.51
2	A₁	3233	3069	21.64
3	A₁	3204	3041	13.57
4	A₁	1607	1526	18.75
5	A₁	1423	1351	48.59
6	A₁	1149	1091	1.28
7	A₁	1067	1013	1.04
8	A₁	998	947	2.34
9	A₁	676	642	5.03
10	A₂	964	915	0.00
11	A₂	406	386	0.00
12	B₁	995	945	0.05
13	B₁	967	918	0.03
14	B₁	821	780	27.94
15	B₁	752	714	37.50
16	B₁	355	337	3.73
17	B₂	3209	3046	24.51
18	B₂	1627	1544	49.58
19	B₂	1486	1411	5.79
20	B₂	1385	1315	0.13
21	B₂	1336	1269	0.66
22	B₂	1233	1171	5.96
23	B₂	1086	1031	6.51
24	B₂	619	587	9.59

Atom	y (Å)	z (Å)
C1	0.000	1.368
C2	0.000	-1.332
C3	1.206	0.620
C4	-1.206	0.620
N5	1.220	-0.737
N6	-1.220	-0.737
H7	0.000	2.462
H8	0.000	-2.428
H9	2.185	1.115
H10	-2.185	1.115

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6998	1.4185	1.4185	2.4328	2.4328	1.0937	3.7961	2.2000	2.2000
C2	2.6998		2.2945	2.2945	1.3572	1.3572	3.7935	1.0963	3.2806	3.2806
C3	1.4185	2.2945		2.4111	1.3574	2.7793	2.2008	3.2783	1.0975	3.4268
C4	1.4185	2.2945	2.4111		2.7793	1.3574	2.2008	3.2783	3.4268	1.0975
N5	2.4328	1.3572	1.3574	2.7793		2.4396	3.4232	2.0853	2.0883	3.8761
N6	2.4328	1.3572	2.7793	1.3574	2.4396		3.4232	2.0853	3.8761	2.0883
H7	1.0937	3.7935	2.2008	2.2008	3.4232	3.4232		4.8898	2.5671	2.5671
H8	3.7961	1.0963	3.2783	3.2783	2.0853	2.0853	4.8898		4.1628	4.1628
H9	2.2000	3.2806	1.0975	3.4268	2.0883	3.8761	2.5671	4.1628		4.3708
H10	2.2000	3.2806	3.4268	1.0975	3.8761	2.0883	2.5671	4.1628	4.3708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.404	C1	C3	H9	121.423
C1	C4	N6	122.404	C1	C4	H10	121.423
C2	N5	C3	115.401	C2	N6	C4	115.401
C3	C1	C4	116.395	C3	C1	H7	121.803
C4	C1	H7	121.803	N5	C2	N6	127.995
N5	C2	H8	116.002	N5	C3	H9	116.173
N6	C2	H8	116.002	N6	C4	H10	116.173

All results from a given calculation for C₄H₄N₂ (1,3-Diazine)

using model chemistry: MP2/CEP-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 C4H4N2 (1,3-Diazine)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (1,3-Diazine)