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	hartrees
Energy at 0K	-225.470691
Energy at 298.15K	-225.476711
HF Energy	-224.741021
Nuclear repulsion energy	166.029858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3122	9.11
2	A₁	3134	2970	0.31
3	A₁	1766	1674	18.98
4	A₁	1455	1379	0.12
5	A₁	1413	1340	19.27
6	A₁	1290	1222	3.31
7	A₁	1055	1000	1.01
8	A₁	950	901	15.46
9	A₂	1165	1104	0.00
10	A₂	912	864	0.00
11	A₂	539	511	0.00
12	B₁	3188	3022	0.05
13	B₁	1026	972	22.98
14	B₁	831	788	5.70
15	B₁	349	331	33.26
16	B₂	3277	3107	5.82
17	B₂	1828	1733	0.05
18	B₂	1449	1374	40.92
19	B₂	1260	1194	1.62
20	B₂	1103	1046	26.23
21	B₂	947	897	67.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.209
N2	0.000	0.997	0.282
N3	0.000	-0.997	0.282
C4	0.000	0.732	-0.951
C5	0.000	-0.732	-0.951
H6	-0.902	0.000	1.840
H7	0.902	0.000	1.840
H8	0.000	1.489	-1.737
H9	0.000	-1.489	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3619	1.3619	2.2807	2.2807	1.1006	1.1006	3.3009	3.3009
N2	1.3619		1.9947	1.2610	2.1237	2.0583	2.0583	2.0777	3.2024
N3	1.3619	1.9947		2.1237	1.2610	2.0583	2.0583	3.2024	2.0777
C4	2.2807	1.2610	2.1237		1.4639	3.0233	3.0233	1.0911	2.3556
C5	2.2807	2.1237	1.2610	1.4639		3.0233	3.0233	2.3556	1.0911
H6	1.1006	2.0583	2.0583	3.0233	3.0233		1.8032	3.9783	3.9783
H7	1.1006	2.0583	2.0583	3.0233	3.0233	1.8032		3.9783	3.9783
H8	3.3009	2.0777	3.2024	1.0911	2.3556	3.9783	3.9783		2.9771
H9	3.3009	3.2024	2.0777	2.3556	1.0911	3.9783	3.9783	2.9771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.768	C1	N3	C5	120.768
N2	C1	N3	94.165	N2	C1	H6	112.987
N2	C1	H7	112.987	N2	C4	C5	102.150
N2	C4	H8	123.946	N3	C1	H6	112.987
N3	C1	H7	112.987	N3	C5	C4	102.150
N3	C5	H9	123.946	C4	C5	H9	133.905
C5	C4	H8	133.905	H6	C1	H7	110.009

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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