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	hartrees
Energy at 0K	-262.593282
Energy at 298.15K	-262.599510
Nuclear repulsion energy	208.993419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3465	3118	8.57
2	A₁	3453	3107	28.06
3	A₁	3422	3080	4.71
4	A₁	1751	1576	55.89
5	A₁	1553	1397	82.70
6	A₁	1244	1119	1.80
7	A₁	1156	1040	2.07
8	A₁	1073	965	3.11
9	A₁	748	673	6.01
10	A₂	1118	1006	0.00
11	A₂	479	431	0.00
12	B₁	1154	1039	0.36
13	B₁	1097	987	0.46
14	B₁	918	826	15.66
15	B₁	819	737	71.20
16	B₁	432	389	4.40
17	B₂	3429	3086	23.46
18	B₂	1748	1573	98.64
19	B₂	1615	1453	18.74
20	B₂	1510	1359	1.23
21	B₂	1345	1210	11.12
22	B₂	1212	1091	9.43
23	B₂	1175	1058	3.12
24	B₂	690	621	13.97

Atom	y (Å)	z (Å)
C1	0.000	1.359
C2	0.000	-1.329
C3	1.187	0.628
C4	-1.187	0.628
N5	1.184	-0.711
N6	-1.184	-0.711
H7	0.000	2.428
H8	0.000	-2.396
H9	2.144	1.107
H10	-2.144	1.107

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6875	1.3942	1.3942	2.3848	2.3848	1.0690	3.7549	2.1591	2.1591
C2	2.6875		2.2887	2.2887	1.3357	1.3357	3.7564	1.0674	3.2449	3.2449
C3	1.3942	2.2887		2.3746	1.3391	2.7236	2.1561	3.2488	1.0701	3.3658
C4	1.3942	2.2887	2.3746		2.7236	1.3391	2.1561	3.2488	3.3658	1.0701
N5	2.3848	1.3357	1.3391	2.7236		2.3688	3.3549	2.0596	2.0557	3.7928
N6	2.3848	1.3357	2.7236	1.3391	2.3688		3.3549	2.0596	3.7928	2.0557
H7	1.0690	3.7564	2.1561	2.1561	3.3549	3.3549		4.8238	2.5186	2.5186
H8	3.7549	1.0674	3.2488	3.2488	2.0596	2.0596	4.8238		4.1071	4.1071
H9	2.1591	3.2449	1.0701	3.3658	2.0557	3.7928	2.5186	4.1071		4.2887
H10	2.1591	3.2449	3.3658	1.0701	3.7928	2.0557	2.5186	4.1071	4.2887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	121.491	C1	C3	H9	121.811
C1	C4	N6	121.491	C1	C4	H10	121.811
C2	N5	C3	117.661	C2	N6	C4	117.661
C3	C1	C4	116.773	C3	C1	H7	121.614
C4	C1	H7	121.614	N5	C2	N6	124.924
N5	C2	H8	117.538	N5	C3	H9	116.699
N6	C2	H8	117.538	N6	C4	H10	116.699

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

using model chemistry: HF/LANL2DZ

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	-0.210
2	C	-0.106
3	C	-0.112
4	C	-0.112
5	N	-0.199
6	N	-0.199
7	H	0.224
8	H	0.239
9	H	0.237
10	H	0.237

<r²>	115.722
(<r²>)^1/2	10.757

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

using model chemistry: HF/LANL2DZ

States and conformations

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