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	hartrees
Energy at 0K	-225.461365
Energy at 298.15K	-225.467351
HF Energy	-224.739787
Nuclear repulsion energy	165.880198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3126	9.71
2	A₁	3129	2974	0.28
3	A₁	1689	1605	16.98
4	A₁	1427	1357	1.51
5	A₁	1387	1318	21.90
6	A₁	1278	1215	4.86
7	A₁	1050	998	1.02
8	A₁	927	881	13.84
9	A₂	1146	1089	0.00
10	A₂	902	857	0.00
11	A₂	536	510	0.00
12	B₁	3192	3034	0.45
13	B₁	1006	956	21.45
14	B₁	821	781	5.33
15	B₁	346	328	34.84
16	B₂	3274	3111	4.69
17	B₂	1754	1667	0.08
18	B₂	1406	1336	39.06
19	B₂	1239	1178	0.92
20	B₂	1093	1039	26.99
21	B₂	935	889	69.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.209
N2	0.000	0.997	0.286
N3	0.000	-0.997	0.286
C4	0.000	0.730	-0.955
C5	0.000	-0.730	-0.955
H6	-0.901	0.000	1.840
H7	0.901	0.000	1.840
H8	0.000	1.490	-1.737
H9	0.000	-1.490	-1.737

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3585	1.3585	2.2834	2.2834	1.1002	1.1002	3.3013	3.3013
N2	1.3585		1.9940	1.2694	2.1264	2.0543	2.0543	2.0824	3.2061
N3	1.3585	1.9940		2.1264	1.2694	2.0543	2.0543	3.2061	2.0824
C4	2.2834	1.2694	2.1264		1.4594	3.0256	3.0256	1.0909	2.3537
C5	2.2834	2.1264	1.2694	1.4594		3.0256	3.0256	2.3537	1.0909
H6	1.1002	2.0543	2.0543	3.0256	3.0256		1.8029	3.9782	3.9782
H7	1.1002	2.0543	2.0543	3.0256	3.0256	1.8029		3.9782	3.9782
H8	3.3013	2.0824	3.2061	1.0909	2.3537	3.9782	3.9782		2.9804
H9	3.3013	3.2061	2.0824	2.3537	1.0909	3.9782	3.9782	2.9804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.629	C1	N3	C5	120.629
N2	C1	N3	94.432	N2	C1	H6	112.920
N2	C1	H7	112.920	N2	C4	C5	102.155
N2	C4	H8	123.651	N3	C1	H6	112.920
N3	C1	H7	112.920	N3	C5	C4	102.155
N3	C5	H9	123.651	C4	C5	H9	134.194
C5	C4	H8	134.194	H6	C1	H7	110.031

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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