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	hartrees
Energy at 0K	-43.991356
Energy at 298.15K	-43.997096
HF Energy	-43.481858
Nuclear repulsion energy	102.259562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3137	15.52
2	A₁	3218	3110	37.41
3	A₁	3186	3078	0.83
4	A₁	1517	1466	2.88
5	A₁	1370	1324	50.59
6	A₁	1113	1075	3.77
7	A₁	1048	1012	0.25
8	A₁	935	903	0.08
9	A₁	664	641	6.10
10	A₂	918	887	0.00
11	A₂	404	391	0.00
12	B₁	964	931	0.56
13	B₁	912	881	0.79
14	B₁	795	768	31.37
15	B₁	740	715	36.67
16	B₁	351	339	5.06
17	B₂	3201	3093	31.48
18	B₂	1543	1491	35.63
19	B₂	1443	1394	9.61
20	B₂	1370	1324	0.42
21	B₂	1207	1166	2.61
22	B₂	1180	1140	0.01
23	B₂	1038	1003	5.47
24	B₂	618	597	9.04

Atom	y (Å)	z (Å)
C1	0.000	1.403
C2	0.000	-1.364
C3	1.229	0.652
C4	-1.229	0.652
N5	1.244	-0.741
N6	-1.244	-0.741
H7	0.000	2.501
H8	0.000	-2.460
H9	2.213	1.142
H10	-2.213	1.142

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.7663	1.4406	1.4406	2.4790	2.4790	1.0980	3.8622	2.2282	2.2282
C2	2.7663		2.3607	2.3607	1.3911	1.3911	3.8643	1.0959	3.3427	3.3427
C3	1.4406	2.3607		2.4588	1.3933	2.8390	2.2204	3.3454	1.0988	3.4770
C4	1.4406	2.3607	2.4588		2.8390	1.3933	2.2204	3.3454	3.4770	1.0988
N5	2.4790	1.3911	1.3933	2.8390		2.4885	3.4728	2.1213	2.1178	3.9368
N6	2.4790	1.3911	2.8390	1.3933	2.4885		3.4728	2.1213	3.9368	2.1178
H7	1.0980	3.8643	2.2204	2.2204	3.4728	3.4728		4.9602	2.5968	2.5968
H8	3.8622	1.0959	3.3454	3.3454	2.1213	2.1213	4.9602		4.2268	4.2268
H9	2.2282	3.3427	1.0988	3.4770	2.1178	3.9368	2.5968	4.2268		4.4257
H10	2.2282	3.3427	3.4770	1.0988	3.9368	2.1178	2.5968	4.2268	4.4257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.028	C1	C3	H9	122.097
C1	C4	N6	122.028	C1	C4	H10	122.097
C2	N5	C3	115.955	C2	N6	C4	115.955
C3	C1	C4	117.166	C3	C1	H7	121.417
C4	C1	H7	121.417	N5	C2	N6	126.869
N5	C2	H8	116.565	N5	C3	H9	115.875
N6	C2	H8	116.565	N6	C4	H10	115.875

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)