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	hartrees
Energy at 0K	-262.718171
Energy at 298.15K	-262.724374
Nuclear repulsion energy	211.498686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3374	3055	8.39
2	A₁	3338	3023	25.69
3	A₁	3321	3007	14.79
4	A₁	1783	1615	91.56
5	A₁	1561	1413	87.34
6	A₁	1255	1136	2.15
7	A₁	1159	1049	2.03
8	A₁	1095	992	6.32
9	A₁	748	677	3.70
10	A₂	1135	1027	0.00
11	A₂	461	417	0.00
12	B₁	1160	1050	0.01
13	B₁	1099	995	1.94
14	B₁	914	828	3.05
15	B₁	787	713	47.18
16	B₁	413	374	2.85
17	B₂	3325	3011	34.35
18	B₂	1784	1615	135.50
19	B₂	1627	1473	25.14
20	B₂	1507	1365	1.13
21	B₂	1348	1221	10.56
22	B₂	1197	1084	7.24
23	B₂	1143	1035	5.64
24	B₂	681	617	14.85

Atom	y (Å)	z (Å)
C1	0.000	1.344
C2	0.000	-1.294
C3	1.169	0.612
C4	-1.169	0.612
N5	1.178	-0.706
N6	-1.178	-0.706
H7	0.000	2.417
H8	0.000	-2.370
H9	2.129	1.100
H10	-2.129	1.100

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6377	1.3795	1.3795	2.3644	2.3644	1.0728	3.7139	2.1433	2.1433
C2	2.6377		2.2361	2.2361	1.3162	1.3162	3.7105	1.0762	3.2042	3.2042
C3	1.3795	2.2361		2.3388	1.3185	2.6921	2.1503	3.2033	1.0771	3.3348
C4	1.3795	2.2361	2.3388		2.6921	1.3185	2.1503	3.2033	3.3348	1.0771
N5	2.3644	1.3162	1.3185	2.6921		2.3556	3.3377	2.0384	2.0421	3.7686
N6	2.3644	1.3162	2.6921	1.3185	2.3556		3.3377	2.0384	3.7686	2.0421
H7	1.0728	3.7105	2.1503	2.1503	3.3377	3.3377		4.7867	2.5034	2.5034
H8	3.7139	1.0762	3.2033	3.2033	2.0384	2.0384	4.7867		4.0717	4.0717
H9	2.1433	3.2042	1.0771	3.3348	2.0421	3.7686	2.5034	4.0717		4.2589
H10	2.1433	3.2042	3.3348	1.0771	3.7686	2.0421	2.5034	4.0717	4.2589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.402	C1	C3	H9	121.005
C1	C4	N6	122.402	C1	C4	H10	121.005
C2	N5	C3	116.146	C2	N6	C4	116.146
C3	C1	C4	115.927	C3	C1	H7	122.037
C4	C1	H7	122.037	N5	C2	N6	126.977
N5	C2	H8	116.511	N5	C3	H9	116.593
N6	C2	H8	116.511	N6	C4	H10	116.593

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.241
2	C	0.118
3	C	0.045
4	C	0.045
5	N	-0.315
6	N	-0.315
7	H	0.166
8	H	0.167
9	H	0.165
10	H	0.165

<r²>	112.400
(<r²>)^1/2	10.602

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

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

States and conformations

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