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	hartrees
Energy at 0K	-225.436034
Energy at 298.15K	-225.442052
HF Energy	-224.724115
Nuclear repulsion energy	166.588798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3102	9.24
2	A₁	3134	2942	0.01
3	A₁	1774	1666	20.86
4	A₁	1489	1397	5.96
5	A₁	1447	1359	13.57
6	A₁	1296	1216	4.04
7	A₁	1074	1008	0.97
8	A₁	968	908	14.00
9	A₂	1177	1105	0.00
10	A₂	883	829	0.00
11	A₂	543	509	0.00
12	B₁	3182	2987	0.06
13	B₁	1046	982	21.29
14	B₁	828	777	7.65
15	B₁	359	337	39.71
16	B₂	3290	3088	7.08
17	B₂	1841	1728	0.28
18	B₂	1458	1369	30.03
19	B₂	1282	1203	1.10
20	B₂	1113	1044	32.92
21	B₂	955	896	68.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
N2	0.000	0.997	0.281
N3	0.000	-0.997	0.281
C4	0.000	0.726	-0.947
C5	0.000	-0.726	-0.947
H6	-0.896	0.000	1.833
H7	0.896	0.000	1.833
H8	0.000	1.472	-1.732
H9	0.000	-1.472	-1.732

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3604	1.3604	2.2726	2.2726	1.0941	1.0941	3.2863	3.2863
N2	1.3604		1.9944	1.2577	2.1161	2.0514	2.0514	2.0680	3.1859
N3	1.3604	1.9944		2.1161	1.2577	2.0514	2.0514	3.1859	2.0680
C4	2.2726	1.2577	2.1161		1.4522	3.0105	3.0105	1.0829	2.3343
C5	2.2726	2.1161	1.2577	1.4522		3.0105	3.0105	2.3343	1.0829
H6	1.0941	2.0514	2.0514	3.0105	3.0105		1.7928	3.9601	3.9601
H7	1.0941	2.0514	2.0514	3.0105	3.0105	1.7928		3.9601	3.9601
H8	3.2863	2.0680	3.1859	1.0829	2.3343	3.9601	3.9601		2.9450
H9	3.2863	3.1859	2.0680	2.3343	1.0829	3.9601	3.9601	2.9450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.409	C1	N3	C5	120.409
N2	C1	N3	94.285	N2	C1	H6	112.952
N2	C1	H7	112.952	N2	C4	C5	102.449
N2	C4	H8	123.977	N3	C1	H6	112.952
N3	C1	H7	112.952	N3	C5	C4	102.449
N3	C5	H9	123.977	C4	C5	H9	133.574
C5	C4	H8	133.574	H6	C1	H7	110.035

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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