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	hartrees
Energy at 0K	-225.524979
Energy at 298.15K	-225.530966
HF Energy	-224.775043
Nuclear repulsion energy	166.399263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3111	10.56
2	A₁	3118	2962	0.47
3	A₁	1674	1590	19.23
4	A₁	1435	1364	9.36
5	A₁	1397	1328	13.27
6	A₁	1267	1204	5.80
7	A₁	1048	996	1.16
8	A₁	930	883	13.69
9	A₂	1151	1094	0.00
10	A₂	891	847	0.00
11	A₂	535	508	0.00
12	B₁	3172	3014	0.46
13	B₁	1019	968	22.29
14	B₁	823	782	6.42
15	B₁	345	328	36.29
16	B₂	3260	3098	4.22
17	B₂	1737	1651	0.00
18	B₂	1398	1328	36.43
19	B₂	1247	1185	1.83
20	B₂	1095	1040	31.36
21	B₂	936	889	66.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
N2	0.000	0.997	0.284
N3	0.000	-0.997	0.284
C4	0.000	0.728	-0.951
C5	0.000	-0.728	-0.951
H6	-0.899	0.000	1.828
H7	0.899	0.000	1.828
H8	0.000	1.479	-1.730
H9	0.000	-1.479	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3574	1.3574	2.2757	2.2757	1.0933	1.0933	3.2869	3.2869
N2	1.3574		1.9938	1.2639	2.1211	2.0458	2.0458	2.0709	3.1918
N3	1.3574	1.9938		2.1211	1.2639	2.0458	2.0458	3.1918	2.0709
C4	2.2757	1.2639	2.1211		1.4552	3.0099	3.0099	1.0825	2.3404
C5	2.2757	2.1211	1.2639	1.4552		3.0099	3.0099	2.3404	1.0825
H6	1.0933	2.0458	2.0458	3.0099	3.0099		1.7971	3.9566	3.9566
H7	1.0933	2.0458	2.0458	3.0099	3.0099	1.7971		3.9566	3.9566
H8	3.2869	2.0709	3.1918	1.0825	2.3404	3.9566	3.9566		2.9587
H9	3.2869	3.1918	2.0709	2.3404	1.0825	3.9566	3.9566	2.9587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.441	C1	N3	C5	120.441
N2	C1	N3	94.513	N2	C1	H6	112.746
N2	C1	H7	112.746	N2	C4	C5	102.302
N2	C4	H8	123.716	N3	C1	H6	112.746
N3	C1	H7	112.746	N3	C5	C4	102.302
N3	C5	H9	123.716	C4	C5	H9	133.981
C5	C4	H8	133.981	H6	C1	H7	110.547

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)

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 C3H4N2 (2H-Imidazole)

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

States and conformations

All results from a given calculation for C₃H₄N₂ (2H-Imidazole)