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	hartrees
Energy at 0K	-263.524503
Energy at 298.15K	-263.530410
HF Energy	-262.691346
Nuclear repulsion energy	208.793709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3075	5.42
2	A₁	3254	3055	18.55
3	A₁	3235	3036	8.32
4	A₁	1681	1578	30.21
5	A₁	1482	1391	57.56
6	A₁	1194	1121	2.57
7	A₁	1107	1039	0.95
8	A₁	1039	975	5.09
9	A₁	705	661	4.44
10	A₂	1001	940	0.00
11	A₂	416	390	0.00
12	B₁	1017	955	0.07
13	B₁	954	895	0.19
14	B₁	825	775	7.73
15	B₁	735	690	40.00
16	B₁	365	343	3.18
17	B₂	3238	3040	22.12
18	B₂	1688	1585	63.18
19	B₂	1547	1452	13.29
20	B₂	1434	1346	0.19
21	B₂	1289	1210	5.43
22	B₂	1177	1105	5.76
23	B₂	1130	1060	2.38
24	B₂	642	603	11.64

Atom	y (Å)	z (Å)
C1	0.000	1.354
C2	0.000	-1.309
C3	1.184	0.623
C4	-1.184	0.623
N5	1.199	-0.716
N6	-1.199	-0.716
H7	0.000	2.438
H8	0.000	-2.395
H9	2.153	1.116
H10	-2.153	1.116

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6623	1.3911	1.3911	2.3915	2.3915	1.0843	3.7489	2.1662	2.1662
C2	2.6623		2.2653	2.2653	1.3373	1.3373	3.7466	1.0865	3.2423	3.2423
C3	1.3911	2.2653		2.3673	1.3386	2.7326	2.1670	3.2418	1.0875	3.3729
C4	1.3911	2.2653	2.3673		2.7326	1.3386	2.1670	3.2418	3.3729	1.0875
N5	2.3915	1.3373	1.3386	2.7326		2.3973	3.3738	2.0633	2.0651	3.8194
N6	2.3915	1.3373	2.7326	1.3386	2.3973		3.3738	2.0633	3.8194	2.0651
H7	1.0843	3.7466	2.1670	2.1670	3.3738	3.3738		4.8331	2.5268	2.5268
H8	3.7489	1.0865	3.2418	3.2418	2.0633	2.0633	4.8331		4.1184	4.1184
H9	2.1662	3.2423	1.0875	3.3729	2.0651	3.8194	2.5268	4.1184		4.3062
H10	2.1662	3.2423	3.3729	1.0875	3.8194	2.0651	2.5268	4.1184	4.3062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.337	C1	C3	H9	121.361
C1	C4	N6	122.337	C1	C4	H10	121.361
C2	N5	C3	115.677	C2	N6	C4	115.677
C3	C1	C4	116.611	C3	C1	H7	121.695
C4	C1	H7	121.695	N5	C2	N6	127.363
N5	C2	H8	116.318	N5	C3	H9	116.303
N6	C2	H8	116.318	N6	C4	H10	116.303

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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