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	hartrees
Energy at 0K	-263.597074
Energy at 298.15K	-263.602925
HF Energy	-262.740498
Nuclear repulsion energy	208.293772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3085	7.15
2	A₁	3222	3062	17.08
3	A₁	3202	3043	9.69
4	A₁	1616	1536	16.65
5	A₁	1439	1368	49.36
6	A₁	1161	1103	2.23
7	A₁	1078	1025	1.41
8	A₁	1013	963	3.91
9	A₁	688	654	4.52
10	A₂	966	918	0.00
11	A₂	403	383	0.00
12	B₁	978	929	0.02
13	B₁	952	905	0.22
14	B₁	811	771	12.87
15	B₁	740	703	41.34
16	B₁	346	329	3.21
17	B₂	3206	3047	19.40
18	B₂	1624	1543	49.18
19	B₂	1500	1425	7.23
20	B₂	1401	1332	0.15
21	B₂	1322	1256	0.80
22	B₂	1248	1186	5.83
23	B₂	1100	1045	5.55
24	B₂	626	595	11.28

Atom	y (Å)	z (Å)
C1	0.000	1.355
C2	0.000	-1.310
C3	1.188	0.624
C4	-1.188	0.624
N5	1.203	-0.717
N6	-1.203	-0.717
H7	0.000	2.440
H8	0.000	-2.397
H9	2.158	1.118
H10	-2.158	1.118

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6650	1.3951	1.3951	2.3961	2.3961	1.0849	3.7523	2.1711	2.1711
C2	2.6650		2.2699	2.2699	1.3409	1.3409	3.7499	1.0873	3.2484	3.2484
C3	1.3951	2.2699		2.3766	1.3414	2.7416	2.1701	3.2466	1.0883	3.3827
C4	1.3951	2.2699	2.3766		2.7416	1.3414	2.1701	3.2466	3.3827	1.0883
N5	2.3961	1.3409	1.3414	2.7416		2.4056	3.3786	2.0662	2.0690	3.8293
N6	2.3961	1.3409	2.7416	1.3414	2.4056		3.3786	2.0662	3.8293	2.0690
H7	1.0849	3.7499	2.1701	2.1701	3.3786	3.3786		4.8372	2.5308	2.5308
H8	3.7523	1.0873	3.2466	3.2466	2.0662	2.0662	4.8372		4.1248	4.1248
H9	2.1711	3.2484	1.0883	3.3827	2.0690	3.8293	2.5308	4.1248		4.3162
H10	2.1711	3.2484	3.3827	1.0883	3.8293	2.0690	2.5308	4.1248	4.3162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.217	C1	C3	H9	121.415
C1	C4	N6	122.217	C1	C4	H10	121.415
C2	N5	C3	115.614	C2	N6	C4	115.614
C3	C1	C4	116.806	C3	C1	H7	121.597
C4	C1	H7	121.597	N5	C2	N6	127.534
N5	C2	H8	116.233	N5	C3	H9	116.368
N6	C2	H8	116.233	N6	C4	H10	116.368

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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