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	hartrees
Energy at 0K	-263.684140
Energy at 298.15K	-263.690042
HF Energy	-262.715617
Nuclear repulsion energy	208.832152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3088	2.91
2	A₁	3232	3052	11.34
3	A₁	3220	3041	9.01
4	A₁	1614	1525	18.29
5	A₁	1442	1362	45.54
6	A₁	1165	1100	3.84
7	A₁	1081	1021	1.13
8	A₁	1011	955	4.25
9	A₁	685	647	4.27
10	A₂	1004	948	0.00
11	A₂	409	386	0.00
12	B₁	1025	968	0.04
13	B₁	986	932	0.00
14	B₁	831	785	5.11
15	B₁	755	713	30.68
16	B₁	355	336	3.34
17	B₂	3223	3044	12.99
18	B₂	1619	1529	50.30
19	B₂	1496	1413	7.18
20	B₂	1402	1324	0.10
21	B₂	1343	1268	0.42
22	B₂	1249	1180	5.10
23	B₂	1096	1035	4.11
24	B₂	620	586	12.83

Atom	y (Å)	z (Å)
C1	0.000	1.352
C2	0.000	-1.307
C3	1.183	0.623
C4	-1.183	0.623
N5	1.201	-0.716
N6	-1.201	-0.716
H7	0.000	2.434
H8	0.000	-2.392
H9	2.150	1.118
H10	-2.150	1.118

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6587	1.3898	1.3898	2.3914	2.3914	1.0821	3.7440	2.1623	2.1623
C2	2.6587		2.2636	2.2636	1.3379	1.3379	3.7409	1.0853	3.2402	3.2402
C3	1.3898	2.2636		2.3665	1.3393	2.7342	2.1634	3.2388	1.0857	3.3694
C4	1.3898	2.2636	2.3665		2.7342	1.3393	2.1634	3.2388	3.3694	1.0857
N5	2.3914	1.3379	1.3393	2.7342		2.4010	3.3714	2.0614	2.0651	3.8193
N6	2.3914	1.3379	2.7342	1.3393	2.4010		3.3714	2.0614	3.8193	2.0651
H7	1.0821	3.7409	2.1634	2.1634	3.3714	3.3714		4.8261	2.5206	2.5206
H8	3.7440	1.0853	3.2388	3.2388	2.0614	2.0614	4.8261		4.1158	4.1158
H9	2.1623	3.2402	1.0857	3.3694	2.0651	3.8193	2.5206	4.1158		4.2992
H10	2.1623	3.2402	3.3694	1.0857	3.8193	2.0651	2.5206	4.1158	4.2992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.379	C1	C3	H9	121.242
C1	C4	N6	122.379	C1	C4	H10	121.242
C2	N5	C3	115.452	C2	N6	C4	115.452
C3	C1	C4	116.721	C3	C1	H7	121.639
C4	C1	H7	121.639	N5	C2	N6	127.618
N5	C2	H8	116.191	N5	C3	H9	116.379
N6	C2	H8	116.191	N6	C4	H10	116.379

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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