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	hartrees
Energy at 0K	-263.799278
Energy at 298.15K	-263.805170
HF Energy	-262.788052
Nuclear repulsion energy	209.052731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3094	4.78
2	A₁	3223	3067	11.37
3	A₁	3207	3052	9.23
4	A₁	1610	1532	20.10
5	A₁	1439	1369	46.06
6	A₁	1161	1104	2.37
7	A₁	1081	1029	0.97
8	A₁	1011	962	3.52
9	A₁	686	653	3.80
10	A₂	989	941	0.00
11	A₂	408	388	0.00
12	B₁	1013	964	0.04
13	B₁	980	933	0.04
14	B₁	824	784	9.22
15	B₁	750	714	35.84
16	B₁	353	336	3.54
17	B₂	3211	3055	12.69
18	B₂	1618	1540	51.44
19	B₂	1495	1422	4.37
20	B₂	1399	1331	0.11
21	B₂	1332	1267	0.80
22	B₂	1242	1182	6.90
23	B₂	1094	1041	4.40
24	B₂	623	593	12.20

Atom	y (Å)	z (Å)
C1	0.000	1.349
C2	0.000	-1.306
C3	1.183	0.623
C4	-1.183	0.623
N5	1.199	-0.715
N6	-1.199	-0.715
H7	0.000	2.429
H8	0.000	-2.388
H9	2.147	1.116
H10	-2.147	1.116

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6553	1.3881	1.3881	2.3864	2.3864	1.0796	3.7368	2.1595	2.1595
C2	2.6553		2.2634	2.2634	1.3367	1.3367	3.7349	1.0816	3.2369	3.2369
C3	1.3881	2.2634		2.3665	1.3378	2.7318	2.1586	3.2352	1.0824	3.3665
C4	1.3881	2.2634	2.3665		2.7318	1.3378	2.1586	3.2352	3.3665	1.0824
N5	2.3864	1.3367	1.3378	2.7318		2.3973	3.3639	2.0583	2.0617	3.8137
N6	2.3864	1.3367	2.7318	1.3378	2.3973		3.3639	2.0583	3.8137	2.0617
H7	1.0796	3.7349	2.1586	2.1586	3.3639	3.3639		4.8164	2.5163	2.5163
H8	3.7368	1.0816	3.2352	3.2352	2.0583	2.0583	4.8164		4.1094	4.1094
H9	2.1595	3.2369	1.0824	3.3665	2.0617	3.8137	2.5163	4.1094		4.2938
H10	2.1595	3.2369	3.3665	1.0824	3.8137	2.0617	2.5163	4.1094	4.2938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.185	C1	C3	H9	121.380
C1	C4	N6	122.185	C1	C4	H10	121.380
C2	N5	C3	115.615	C2	N6	C4	115.615
C3	C1	C4	116.947	C3	C1	H7	121.526
C4	C1	H7	121.526	N5	C2	N6	127.453
N5	C2	H8	116.274	N5	C3	H9	116.435
N6	C2	H8	116.274	N6	C4	H10	116.435

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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