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	hartrees
Energy at 0K	-263.793436
Energy at 298.15K	-263.799350
Nuclear repulsion energy	209.007095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3085	4.99
2	A₁	3219	3057	12.13
3	A₁	3202	3041	9.34
4	A₁	1612	1530	19.78
5	A₁	1436	1364	45.08
6	A₁	1160	1101	2.71
7	A₁	1080	1025	1.10
8	A₁	1010	959	3.67
9	A₁	686	651	3.93
10	A₂	997	947	0.00
11	A₂	408	388	0.00
12	B₁	1023	972	0.03
13	B₁	987	937	0.05
14	B₁	826	784	8.49
15	B₁	752	714	36.36
16	B₁	356	338	3.36
17	B₂	3206	3044	14.16
18	B₂	1619	1538	50.79
19	B₂	1493	1418	4.91
20	B₂	1395	1324	0.10
21	B₂	1334	1267	0.69
22	B₂	1241	1178	6.60
23	B₂	1094	1038	4.00
24	B₂	623	591	12.47

Atom	y (Å)	z (Å)
C1	0.000	1.350
C2	0.000	-1.307
C3	1.184	0.623
C4	-1.184	0.623
N5	1.199	-0.715
N6	-1.199	-0.715
H7	0.000	2.430
H8	0.000	-2.389
H9	2.147	1.118
H10	-2.147	1.118

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		2.6572	1.3889	1.3889	2.3876	2.3876	1.0799	3.7394	2.1595	2.1595
C2	2.6572		2.2644	2.2644	1.3372	1.3372	3.7371	1.0821	3.2388	3.2388
C3	1.3889	2.2644		2.3672	1.3381	2.7324	2.1599	3.2367	1.0829	3.3670
C4	1.3889	2.2644	2.3672		2.7324	1.3381	2.1599	3.2367	3.3670	1.0829
N5	2.3876	1.3372	1.3381	2.7324		2.3975	3.3654	2.0594	2.0633	3.8147
N6	2.3876	1.3372	2.7324	1.3381	2.3975		3.3654	2.0594	3.8147	2.0633
H7	1.0799	3.7371	2.1599	2.1599	3.3654	3.3654		4.8192	2.5161	2.5161
H8	3.7394	1.0821	3.2367	3.2367	2.0594	2.0594	4.8192		4.1121	4.1121
H9	2.1595	3.2388	1.0829	3.3670	2.0633	3.8147	2.5161	4.1121		4.2939
H10	2.1595	3.2388	3.3670	1.0829	3.8147	2.0633	2.5161	4.1121	4.2939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N5	122.202	C1	C3	H9	121.271
C1	C4	N6	122.202	C1	C4	H10	121.271
C2	N5	C3	115.649	C2	N6	C4	115.649
C3	C1	C4	116.895	C3	C1	H7	121.553
C4	C1	H7	121.553	N5	C2	N6	127.402
N5	C2	H8	116.299	N5	C3	H9	116.527
N6	C2	H8	116.299	N6	C4	H10	116.527

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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