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	hartrees
Energy at 0K	-263.709547
Energy at 298.15K	-263.715409
HF Energy	-262.740872
Nuclear repulsion energy	208.488385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3077	6.91
2	A₁	3224	3053	16.95
3	A₁	3204	3034	9.92
4	A₁	1621	1535	17.15
5	A₁	1443	1367	49.31
6	A₁	1163	1102	2.16
7	A₁	1081	1024	1.40
8	A₁	1016	962	4.01
9	A₁	690	653	4.55
10	A₂	969	918	0.00
11	A₂	405	383	0.00
12	B₁	982	930	0.02
13	B₁	957	907	0.19
14	B₁	815	771	12.58
15	B₁	743	704	41.55
16	B₁	347	329	3.23
17	B₂	3207	3038	19.23
18	B₂	1629	1542	49.47
19	B₂	1503	1423	7.25
20	B₂	1404	1329	0.15
21	B₂	1328	1258	0.77
22	B₂	1251	1184	5.90
23	B₂	1102	1044	5.60
24	B₂	627	594	11.32

Atom	y (Å)	z (Å)
C1	0.000	1.354
C2	0.000	-1.309
C3	1.187	0.624
C4	-1.187	0.624
N5	1.202	-0.717
N6	-1.202	-0.717
H7	0.000	2.438
H8	0.000	-2.396
H9	2.156	1.117
H10	-2.156	1.117

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6624	1.3933	1.3933	2.3938	2.3938	1.0848	3.7493	2.1693	2.1693
C2	2.6624		2.2679	2.2679	1.3397	1.3397	3.7472	1.0869	3.2458	3.2458
C3	1.3933	2.2679		2.3737	1.3406	2.7390	2.1683	3.2444	1.0878	3.3794
C4	1.3933	2.2679	2.3737		2.7390	1.3406	2.1683	3.2444	3.3794	1.0878
N5	2.3938	1.3397	1.3406	2.7390		2.4036	3.3762	2.0648	2.0674	3.8262
N6	2.3938	1.3397	2.7390	1.3406	2.4036		3.3762	2.0648	3.8262	2.0674
H7	1.0848	3.7472	2.1683	2.1683	3.3762	3.3762		4.8341	2.5289	2.5289
H8	3.7493	1.0869	3.2444	3.2444	2.0648	2.0648	4.8341		4.1219	4.1219
H9	2.1693	3.2458	1.0878	3.3794	2.0674	3.8262	2.5289	4.1219		4.3127
H10	2.1693	3.2458	3.3794	1.0878	3.8262	2.0674	2.5289	4.1219	4.3127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.226	C1	C3	H9	121.441
C1	C4	N6	122.226	C1	C4	H10	121.441
C2	N5	C3	115.591	C2	N6	C4	115.591
C3	C1	C4	116.825	C3	C1	H7	121.588
C4	C1	H7	121.588	N5	C2	N6	127.540
N5	C2	H8	116.230	N5	C3	H9	116.332
N6	C2	H8	116.230	N6	C4	H10	116.332

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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