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	hartrees
Energy at 0K	-263.645256
Energy at 298.15K
HF Energy	-262.767657
Nuclear repulsion energy	208.914222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3090	5.48
2	A₁	3234	3065	12.94
3	A₁	3215	3048	10.61
4	A₁	1614	1530	18.31
5	A₁	1446	1371	47.80
6	A₁	1167	1107	2.36
7	A₁	1086	1029	0.61
8	A₁	1016	963	2.71
9	A₁	693	657	3.75
10	A₂	856	811	0.00
11	A₂	377	357	0.00
12	B₁	884	838	0.17
13	B₁	803	761	0.21
14	B₁	750	711	37.80
15	B₁	518	491	10.57
16	B₁	136i	129i	0.24
17	B₂	3219	3051	15.43
18	B₂	1618	1534	48.48
19	B₂	1506	1427	5.92
20	B₂	1417	1343	0.07
21	B₂	1307	1239	1.07
22	B₂	1252	1187	6.29
23	B₂	1098	1041	4.58
24	B₂	633	600	9.52

Atom	y (Å)	z (Å)
C1	0.000	1.344
C2	0.000	-1.303
C3	1.189	0.621
C4	-1.189	0.621
N5	1.200	-0.712
N6	-1.200	-0.712
H7	0.000	2.422
H8	0.000	-2.379
H9	2.145	1.118
H10	-2.145	1.118

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6473	1.3913	1.3913	2.3803	2.3803	1.0786	3.7230	2.1568	2.1568
C2	2.6473		2.2616	2.2616	1.3377	1.3377	3.7259	1.0757	3.2346	3.2346
C3	1.3913	2.2616		2.3772	1.3326	2.7350	2.1585	3.2267	1.0778	3.3704
C4	1.3913	2.2616	2.3772		2.7350	1.3326	2.1585	3.2267	3.3704	1.0778
N5	2.3803	1.3377	1.3326	2.7350		2.3997	3.3562	2.0541	2.0593	3.8125
N6	2.3803	1.3377	2.7350	1.3326	2.3997		3.3562	2.0541	3.8125	2.0593
H7	1.0786	3.7259	2.1585	2.1585	3.3562	3.3562		4.8016	2.5106	2.5106
H8	3.7230	1.0757	3.2267	3.2267	2.0541	2.0541	4.8016		4.1022	4.1022
H9	2.1568	3.2346	1.0778	3.3704	2.0593	3.8125	2.5106	4.1022		4.2899
H10	2.1568	3.2346	3.3704	1.0778	3.8125	2.0593	2.5106	4.1022	4.2899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	121.802	C1	C3	H9	121.219
C1	C4	N6	121.802	C1	C4	H10	121.219
C2	N5	C3	115.761	C2	N6	C4	115.761
C3	C1	C4	117.362	C3	C1	H7	121.319
C4	C1	H7	121.319	N5	C2	N6	127.513
N5	C2	H8	116.243	N5	C3	H9	116.980
N6	C2	H8	116.243	N6	C4	H10	116.980

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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