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	hartrees
Energy at 0K	-44.466791
Energy at 298.15K	-44.472560
HF Energy	-43.638971
Nuclear repulsion energy	104.906582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3239	3086	9.59
2	A₁	3224	3072	18.10
3	A₁	3201	3050	9.21
4	A₁	1600	1524	17.45
5	A₁	1430	1362	46.72
6	A₁	1149	1095	2.07
7	A₁	1067	1016	1.11
8	A₁	994	947	2.92
9	A₁	679	647	4.37
10	A₂	935	891	0.00
11	A₂	401	382	0.00
12	B₁	953	908	0.01
13	B₁	889	847	0.09
14	B₁	799	761	27.55
15	B₁	732	697	31.04
16	B₁	328	312	3.29
17	B₂	3205	3054	20.11
18	B₂	1606	1530	49.69
19	B₂	1489	1419	6.93
20	B₂	1395	1330	0.07
21	B₂	1310	1248	0.53
22	B₂	1235	1176	6.80
23	B₂	1087	1035	5.65
24	B₂	618	589	9.96

Atom	y (Å)	z (Å)
C1	0.000	1.354
C2	0.000	-1.329
C3	1.197	0.621
C4	-1.197	0.621
N5	1.213	-0.732
N6	-1.213	-0.732
H7	0.000	2.441
H8	0.000	-2.417
H9	2.168	1.114
H10	-2.168	1.114

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6829	1.4035	1.4035	2.4129	2.4129	1.0868	3.7714	2.1816	2.1816
C2	2.6829		2.2875	2.2875	1.3518	1.3518	3.7697	1.0885	3.2661	3.2661
C3	1.4035	2.2875		2.3934	1.3526	2.7632	2.1783	3.2652	1.0895	3.4009
C4	1.4035	2.2875	2.3934		2.7632	1.3526	2.1783	3.2652	3.4009	1.0895
N5	2.4129	1.3518	1.3526	2.7632		2.4257	3.3966	2.0765	2.0782	3.8520
N6	2.4129	1.3518	2.7632	1.3526	2.4257		3.3966	2.0765	3.8520	2.0782
H7	1.0868	3.7697	2.1783	2.1783	3.3966	3.3966		4.8582	2.5422	2.5422
H8	3.7714	1.0885	3.2652	3.2652	2.0765	2.0765	4.8582		4.1436	4.1436
H9	2.1816	3.2661	1.0895	3.4009	2.0782	3.8520	2.5422	4.1436		4.3366
H10	2.1816	3.2661	3.4009	1.0895	3.8520	2.0782	2.5422	4.1436	4.3366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.184	C1	C3	H9	121.597
C1	C4	N6	122.184	C1	C4	H10	121.597
C2	N5	C3	115.524	C2	N6	C4	115.524
C3	C1	C4	116.999	C3	C1	H7	121.500
C4	C1	H7	121.500	N5	C2	N6	127.584
N5	C2	H8	116.208	N5	C3	H9	116.219
N6	C2	H8	116.208	N6	C4	H10	116.219

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

using model chemistry: MP2/CEP-121G*

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-121G*

States and conformations

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