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	hartrees
Energy at 0K	-260.853384
Energy at 298.15K	-260.858613
Nuclear repulsion energy	200.542584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3106	4.70
2	A₁	3319	3071	0.02
3	A₁	3307	3060	0.85
4	A₁	1569	1452	0.06
5	A₁	1333	1233	31.95
6	A₁	1109	1026	10.82
7	A₁	1062	982	0.65
8	A₁	927	858	0.14
9	A₁	650	602	2.34
10	A₂	947	876	0.00
11	A₂	360	333	0.00
12	B₁	983	910	0.00
13	B₁	920	851	0.03
14	B₁	758	701	14.92
15	B₁	728	674	3.89
16	B₁	325	300	2.15
17	B₂	3322	3073	2.00
18	B₂	1555	1438	25.54
19	B₂	1479	1368	19.60
20	B₂	1374	1271	0.36
21	B₂	1212	1121	0.17
22	B₂	1077	996	0.09
23	B₂	1049	971	0.16
24	B₂	613	567	4.08

Atom	y (Å)	z (Å)
C1	0.000	1.389
C2	0.000	-1.340
C3	1.216	0.655
C4	-1.216	0.655
N5	1.286	-0.754
N6	-1.286	-0.754
H7	0.000	2.496
H8	0.000	-2.455
H9	2.197	1.179
H10	-2.197	1.179

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.7293	1.4208	1.4208	2.4993	2.4993	1.1065	3.8438	2.2068	2.2068
C2	2.7293		2.3367	2.3367	1.4128	1.4128	3.8357	1.1146	3.3426	3.3426
C3	1.4208	2.3367		2.4329	1.4108	2.8715	2.2063	3.3392	1.1117	3.4533
C4	1.4208	2.3367	2.4329		2.8715	1.4108	2.2063	3.3392	3.4533	1.1117
N5	2.4993	1.4128	1.4108	2.8715		2.5712	3.4948	2.1318	2.1373	3.9830
N6	2.4993	1.4128	2.8715	1.4108	2.5712		3.4948	2.1318	3.9830	2.1373
H7	1.1065	3.8357	2.2063	2.2063	3.4948	3.4948		4.9503	2.5611	2.5611
H8	3.8438	1.1146	3.3392	3.3392	2.1318	2.1318	4.9503		4.2463	4.2463
H9	2.2068	3.3426	1.1117	3.4533	2.1373	3.9830	2.5611	4.2463		4.3937
H10	2.2068	3.3426	3.4533	1.1117	3.9830	2.1373	2.5611	4.2463	4.3937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	123.920	C1	C3	H9	120.758
C1	C4	N6	123.920	C1	C4	H10	120.758
C2	N5	C3	111.695	C2	N6	C4	111.695
C3	C1	C4	117.777	C3	C1	H7	121.112
C4	C1	H7	121.112	N5	C2	N6	130.992
N5	C2	H8	114.504	N5	C3	H9	115.321
N6	C2	H8	114.504	N6	C4	H10	115.321

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

using model chemistry: BLYP/STO-3G

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	-0.084
2	C	0.074
3	C	0.010
4	C	0.010
5	N	-0.197
6	N	-0.197
7	H	0.095
8	H	0.098
9	H	0.096
10	H	0.096

<r²>	121.248
(<r²>)^1/2	11.011

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

using model chemistry: BLYP/STO-3G

States and conformations

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