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	hartrees
Energy at 0K	-43.629128
Energy at 298.15K	-43.635285
Nuclear repulsion energy	106.032461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3423	3074	7.77
2	A₁	3413	3065	44.40
3	A₁	3382	3037	22.39
4	A₁	1784	1602	109.47
5	A₁	1549	1391	82.62
6	A₁	1245	1118	0.38
7	A₁	1151	1033	1.56
8	A₁	1090	979	5.07
9	A₁	734	659	4.33
10	A₂	1129	1014	0.00
11	A₂	454	407	0.00
12	B₁	1158	1040	0.06
13	B₁	1106	993	1.48
14	B₁	912	819	12.93
15	B₁	783	703	55.58
16	B₁	409	368	3.16
17	B₂	3387	3041	47.69
18	B₂	1794	1611	155.37
19	B₂	1618	1453	17.02
20	B₂	1496	1343	1.25
21	B₂	1343	1206	11.08
22	B₂	1214	1090	15.26
23	B₂	1165	1046	0.23
24	B₂	674	606	11.94

Atom	y (Å)	z (Å)
C1	0.000	1.354
C2	0.000	-1.313
C3	1.187	0.606
C4	-1.187	0.606
N5	1.193	-0.725
N6	-1.193	-0.725
H7	0.000	2.432
H8	0.000	-2.393
H9	2.153	1.095
H10	-2.153	1.095

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6666	1.4027	1.4027	2.3966	2.3966	1.0776	3.7474	2.1682	2.1682
C2	2.6666		2.2565	2.2565	1.3301	1.3301	3.7442	1.0809	3.2294	3.2294
C3	1.4027	2.2565		2.3739	1.3310	2.7269	2.1771	3.2262	1.0821	3.3751
C4	1.4027	2.2565	2.3739		2.7269	1.3310	2.1771	3.2262	3.3751	1.0821
N5	2.3966	1.3301	1.3310	2.7269		2.3861	3.3741	2.0515	2.0568	3.8083
N6	2.3966	1.3301	2.7269	1.3310	2.3861		3.3741	2.0515	3.8083	2.0568
H7	1.0776	3.7442	2.1771	2.1771	3.3741	3.3741		4.8250	2.5340	2.5340
H8	3.7474	1.0809	3.2262	3.2262	2.0515	2.0515	4.8250		4.0989	4.0989
H9	2.1682	3.2294	1.0821	3.3751	2.0568	3.8083	2.5340	4.0989		4.3052
H10	2.1682	3.2294	3.3751	1.0821	3.8083	2.0568	2.5340	4.0989	4.3052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.464	C1	C3	H9	120.979
C1	C4	N6	122.464	C1	C4	H10	120.979
C2	N5	C3	115.977	C2	N6	C4	115.977
C3	C1	C4	115.598	C3	C1	H7	122.201
C4	C1	H7	122.201	N5	C2	N6	127.521
N5	C2	H8	116.240	N5	C3	H9	116.558
N6	C2	H8	116.240	N6	C4	H10	116.558

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

using model chemistry: HF/CEP-31G*

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	0.058
2	C	-0.396
3	C	-0.491
4	C	-0.491
5	N	0.161
6	N	0.161
7	H	0.308
8	H	0.223
9	H	0.233
10	H	0.233

<r²>	92.897
(<r²>)^1/2	9.638

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

using model chemistry: HF/CEP-31G*

States and conformations

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