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	hartrees
Energy at 0K	-263.126885
Energy at 298.15K	-263.132689
HF Energy	-262.555690
Nuclear repulsion energy	204.913669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	3111	11.02
2	A₁	3231	3092	18.33
3	A₁	3205	3066	0.23
4	A₁	1555	1488	3.06
5	A₁	1405	1344	51.25
6	A₁	1148	1098	8.09
7	A₁	1081	1035	0.05
8	A₁	967	925	0.73
9	A₁	690	660	4.69
10	A₂	955	913	0.00
11	A₂	405	388	0.00
12	B₁	964	923	0.00
13	B₁	917	877	1.73
14	B₁	793	759	14.65
15	B₁	720	689	35.44
16	B₁	353	338	4.77
17	B₂	3216	3077	21.77
18	B₂	1568	1500	34.51
19	B₂	1484	1420	10.75
20	B₂	1411	1350	0.38
21	B₂	1246	1192	3.85
22	B₂	1184	1133	0.17
23	B₂	1070	1023	3.65
24	B₂	636	609	10.89

Atom	y (Å)	z (Å)
C1	0.000	1.375
C2	0.000	-1.346
C3	1.205	0.644
C4	-1.205	0.644
N5	1.222	-0.728
N6	-1.222	-0.728
H7	0.000	2.464
H8	0.000	-2.432
H9	2.177	1.134
H10	-2.177	1.134

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.7211	1.4094	1.4094	2.4320	2.4320	1.0891	3.8069	2.1904	2.1904
C2	2.7211		2.3267	2.3267	1.3691	1.3691	3.8102	1.0858	3.3004	3.3004
C3	1.4094	2.3267		2.4102	1.3722	2.7877	2.1828	3.3037	1.0887	3.4176
C4	1.4094	2.3267	2.4102		2.7877	1.3722	2.1828	3.3037	3.4176	1.0887
N5	2.4320	1.3691	1.3722	2.7877		2.4432	3.4178	2.0966	2.0932	3.8755
N6	2.4320	1.3691	2.7877	1.3722	2.4432		3.4178	2.0966	3.8755	2.0932
H7	1.0891	3.8102	2.1828	2.1828	3.4178	3.4178		4.8960	2.5512	2.5512
H8	3.8069	1.0858	3.3037	3.3037	2.0966	2.0966	4.8960		4.1783	4.1783
H9	2.1904	3.3004	1.0887	3.4176	2.0932	3.8755	2.5512	4.1783		4.3544
H10	2.1904	3.3004	3.4176	1.0887	3.8755	2.0932	2.5512	4.1783	4.3544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	121.921	C1	C3	H9	122.006
C1	C4	N6	121.921	C1	C4	H10	122.006
C2	N5	C3	116.153	C2	N6	C4	116.153
C3	C1	C4	117.533	C3	C1	H7	121.234
C4	C1	H7	121.234	N5	C2	N6	126.319
N5	C2	H8	116.841	N5	C3	H9	116.072
N6	C2	H8	116.841	N6	C4	H10	116.072

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

using model chemistry: MP2/6-31G

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 C4H4N2 (1,3-Diazine)

using model chemistry: MP2/6-31G

States and conformations

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