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	hartrees
Energy at 0K	-263.509482
Energy at 298.15K	-263.515329
HF Energy	-262.690180
Nuclear repulsion energy	208.201168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3079	5.23
2	A₁	3243	3058	18.01
3	A₁	3225	3041	8.20
4	A₁	1635	1542	16.63
5	A₁	1458	1375	48.66
6	A₁	1175	1108	3.73
7	A₁	1090	1028	1.08
8	A₁	1015	957	4.06
9	A₁	693	654	4.71
10	A₂	976	921	0.00
11	A₂	406	383	0.00
12	B₁	989	932	0.07
13	B₁	941	887	0.37
14	B₁	811	764	10.36
15	B₁	734	692	33.47
16	B₁	350	330	3.38
17	B₂	3228	3044	20.28
18	B₂	1642	1549	48.24
19	B₂	1518	1432	8.19
20	B₂	1421	1340	0.06
21	B₂	1342	1266	0.61
22	B₂	1264	1192	5.13
23	B₂	1113	1050	4.64
24	B₂	629	593	11.93

Atom	y (Å)	z (Å)
C1	0.000	1.356
C2	0.000	-1.314
C3	1.187	0.626
C4	-1.187	0.626
N5	1.203	-0.717
N6	-1.203	-0.717
H7	0.000	2.441
H8	0.000	-2.402
H9	2.156	1.121
H10	-2.156	1.121

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6696	1.3933	1.3933	2.3967	2.3967	1.0852	3.7576	2.1691	2.1691
C2	2.6696		2.2740	2.2740	1.3423	1.3423	3.7548	1.0880	3.2527	3.2527
C3	1.3933	2.2740		2.3737	1.3434	2.7411	2.1687	3.2521	1.0888	3.3797
C4	1.3933	2.2740	2.3737		2.7411	1.3434	2.1687	3.2521	3.3797	1.0888
N5	2.3967	1.3423	1.3434	2.7411		2.4050	3.3796	2.0696	2.0714	3.8292
N6	2.3967	1.3423	2.7411	1.3434	2.4050		3.3796	2.0696	3.8292	2.0714
H7	1.0852	3.7548	2.1687	2.1687	3.3796	3.3796		4.8428	2.5281	2.5281
H8	3.7576	1.0880	3.2521	3.2521	2.0696	2.0696	4.8428		4.1307	4.1307
H9	2.1691	3.2527	1.0888	3.3797	2.0714	3.8292	2.5281	4.1307		4.3128
H10	2.1691	3.2527	3.3797	1.0888	3.8292	2.0714	2.5281	4.1307	4.3128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.259	C1	C3	H9	121.343
C1	C4	N6	122.259	C1	C4	H10	121.343
C2	N5	C3	115.712	C2	N6	C4	115.712
C3	C1	C4	116.818	C3	C1	H7	121.591
C4	C1	H7	121.591	N5	C2	N6	127.239
N5	C2	H8	116.380	N5	C3	H9	116.398
N6	C2	H8	116.380	N6	C4	H10	116.398

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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