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	hartrees
Energy at 0K	-225.559862
Energy at 298.15K	-225.565836
HF Energy	-224.794769
Nuclear repulsion energy	167.054298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3098	9.97
2	A₁	3139	2935	0.05
3	A₁	1753	1639	22.81
4	A₁	1465	1370	2.80
5	A₁	1435	1342	20.99
6	A₁	1279	1196	2.52
7	A₁	1061	992	1.09
8	A₁	957	895	13.08
9	A₂	1173	1097	0.00
10	A₂	844	789	0.00
11	A₂	528	494	0.00
12	B₁	3186	2980	0.04
13	B₁	1044	977	22.17
14	B₁	821	768	7.07
15	B₁	323	302	36.38
16	B₂	3297	3083	4.51
17	B₂	1819	1701	0.02
18	B₂	1448	1354	33.75
19	B₂	1291	1207	1.73
20	B₂	1110	1038	35.82
21	B₂	949	887	57.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.202
N2	0.000	0.997	0.279
N3	0.000	-0.997	0.279
C4	0.000	0.726	-0.943
C5	0.000	-0.726	-0.943
H6	-0.895	0.000	1.823
H7	0.895	0.000	1.823
H8	0.000	1.465	-1.726
H9	0.000	-1.465	-1.726

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3589	1.3589	2.2646	2.2646	1.0888	1.0888	3.2742	3.2742
N2	1.3589		1.9941	1.2516	2.1121	2.0441	2.0441	2.0587	3.1753
N3	1.3589	1.9941		2.1121	1.2516	2.0441	2.0441	3.1753	2.0587
C4	2.2646	1.2516	2.1121		1.4516	2.9961	2.9961	1.0770	2.3268
C5	2.2646	2.1121	1.2516	1.4516		2.9961	2.9961	2.3268	1.0770
H6	1.0888	2.0441	2.0441	2.9961	2.9961		1.7892	3.9422	3.9422
H7	1.0888	2.0441	2.0441	2.9961	2.9961	1.7892		3.9422	3.9422
H8	3.2742	2.0587	3.1753	1.0770	2.3268	3.9422	3.9422		2.9308
H9	3.2742	3.1753	2.0587	2.3268	1.0770	3.9422	3.9422	2.9308

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.282	C1	N3	C5	120.282
N2	C1	N3	94.401	N2	C1	H6	112.787
N2	C1	H7	112.787	N2	C4	C5	102.517
N2	C4	H8	124.111	N3	C1	H6	112.787
N3	C1	H7	112.787	N3	C5	C4	102.517
N3	C5	H9	124.111	C4	C5	H9	133.372
C5	C4	H8	133.372	H6	C1	H7	110.494

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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