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	hartrees
Energy at 0K	-225.483270
Energy at 298.15K	-225.489270
HF Energy	-224.738823
Nuclear repulsion energy	166.530923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3115	8.71
2	A₁	3170	2950	0.03
3	A₁	1764	1641	22.45
4	A₁	1487	1384	4.30
5	A₁	1448	1348	19.17
6	A₁	1289	1200	2.69
7	A₁	1070	995	0.59
8	A₁	959	893	10.52
9	A₂	1177	1095	0.00
10	A₂	874	813	0.00
11	A₂	528	492	0.00
12	B₁	3222	2998	0.14
13	B₁	1045	972	25.14
14	B₁	830	772	8.23
15	B₁	343	319	38.64
16	B₂	3333	3101	3.21
17	B₂	1831	1704	0.07
18	B₂	1458	1357	36.49
19	B₂	1289	1199	2.02
20	B₂	1112	1035	36.47
21	B₂	948	882	57.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.208
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.727	-0.949
C5	0.000	-0.727	-0.949
H6	-0.893	0.000	1.831
H7	0.893	0.000	1.831
H8	0.000	1.469	-1.729
H9	0.000	-1.469	-1.729

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3619	1.3619	2.2767	2.2767	1.0885	1.0885	3.2844	3.2844
N2	1.3619		1.9947	1.2596	2.1180	2.0478	2.0478	2.0648	3.1819
N3	1.3619	1.9947		2.1180	1.2596	2.0478	2.0478	3.1819	2.0648
C4	2.2767	1.2596	2.1180		1.4535	3.0088	3.0088	1.0768	2.3303
C5	2.2767	2.1180	1.2596	1.4535		3.0088	3.0088	2.3303	1.0768
H6	1.0885	2.0478	2.0478	3.0088	3.0088		1.7863	3.9532	3.9532
H7	1.0885	2.0478	2.0478	3.0088	3.0088	1.7863		3.9532	3.9532
H8	3.2844	2.0648	3.1819	1.0768	2.3303	3.9532	3.9532		2.9383
H9	3.2844	3.1819	2.0648	2.3303	1.0768	3.9532	3.9532	2.9383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.511	C1	N3	C5	120.511
N2	C1	N3	94.168	N2	C1	H6	112.907
N2	C1	H7	112.907	N2	C4	C5	102.405
N2	C4	H8	124.009	N3	C1	H6	112.907
N3	C1	H7	112.907	N3	C5	C4	102.405
N3	C5	H9	124.009	C4	C5	H9	133.586
C5	C4	H8	133.586	H6	C1	H7	110.272

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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