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	hartrees
Energy at 0K	-38.326250
Energy at 298.15K	-38.332133
HF Energy	-37.906058
Nuclear repulsion energy	84.226314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3163	16.26
2	A₁	3108	3004	0.93
3	A₁	1617	1562	29.41
4	A₁	1462	1413	22.85
5	A₁	1350	1304	2.40
6	A₁	1236	1195	7.87
7	A₁	1014	980	2.82
8	A₁	892	862	16.66
9	A₂	1146	1108	0.00
10	A₂	809	782	0.00
11	A₂	532	514	0.00
12	B₁	3179	3072	1.92
13	B₁	1054	1019	18.17
14	B₁	799	772	19.77
15	B₁	325	314	52.82
16	B₂	3249	3140	5.85
17	B₂	1646	1591	0.02
18	B₂	1347	1301	17.59
19	B₂	1228	1187	14.71
20	B₂	1060	1024	42.00
21	B₂	932	901	65.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.254
N2	0.000	0.999	0.292
N3	0.000	-0.999	0.292
C4	0.000	0.758	-0.989
C5	0.000	-0.758	-0.989
H6	-0.908	0.000	1.882
H7	0.908	0.000	1.882
H8	0.000	1.533	-1.757
H9	0.000	-1.533	-1.757

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3868	1.3868	2.3670	2.3670	1.1044	1.1044	3.3785	3.3785
N2	1.3868		1.9985	1.3036	2.1742	2.0860	2.0860	2.1176	3.2574
N3	1.3868	1.9985		2.1742	1.3036	2.0860	2.0860	3.2574	2.1176
C4	2.3670	1.3036	2.1742		1.5151	3.1051	3.1051	1.0914	2.4157
C5	2.3670	2.1742	1.3036	1.5151		3.1051	3.1051	2.4157	1.0914
H6	1.1044	2.0860	2.0860	3.1051	3.1051		1.8163	4.0520	4.0520
H7	1.1044	2.0860	2.0860	3.1051	3.1051	1.8163		4.0520	4.0520
H8	3.3785	2.1176	3.2574	1.0914	2.4157	4.0520	4.0520		3.0656
H9	3.3785	3.2574	2.1176	2.4157	1.0914	4.0520	4.0520	3.0656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	123.212	C1	N3	C5	123.212
N2	C1	N3	92.203	N2	C1	H6	113.241
N2	C1	H7	113.241	N2	C4	C5	100.687
N2	C4	H8	124.053	N3	C1	H6	113.241
N3	C1	H7	113.241	N3	C5	C4	100.687
N3	C5	H9	124.053	C4	C5	H9	135.260
C5	C4	H8	135.260	H6	C1	H7	110.625

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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