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	hartrees
Energy at 0K	-223.863248
Energy at 298.15K	-223.869375
HF Energy	-223.436944
Nuclear repulsion energy	165.746040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3343	3110	6.50
2	A₁	3171	2951	0.00
3	A₁	1748	1627	27.23
4	A₁	1533	1427	8.00
5	A₁	1410	1312	2.54
6	A₁	1264	1176	4.37
7	A₁	1049	976	19.09
8	A₁	938	873	5.04
9	A₂	1223	1138	0.00
10	A₂	953	886	0.00
11	A₂	590	549	0.00
12	B₁	3218	2994	0.03
13	B₁	1075	1001	23.07
14	B₁	876	815	10.55
15	B₁	391	364	46.69
16	B₂	3325	3094	11.11
17	B₂	1800	1674	0.47
18	B₂	1396	1299	11.60
19	B₂	1318	1227	2.78
20	B₂	1096	1020	35.62
21	B₂	1009	939	79.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.222
N2	0.000	0.998	0.279
N3	0.000	-0.998	0.279
C4	0.000	0.740	-0.951
C5	0.000	-0.740	-0.951
H6	-0.898	0.000	1.836
H7	0.898	0.000	1.836
H8	0.000	1.466	-1.743
H9	0.000	-1.466	-1.743

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3734	1.3734	2.2956	2.2956	1.0882	1.0882	3.3075	3.3075
N2	1.3734		1.9968	1.2569	2.1296	2.0566	2.0566	2.0751	3.1878
N3	1.3734	1.9968		2.1296	1.2569	2.0566	2.0566	3.1878	2.0751
C4	2.2956	1.2569	2.1296		1.4800	3.0208	3.0208	1.0744	2.3441
C5	2.2956	2.1296	1.2569	1.4800		3.0208	3.0208	2.3441	1.0744
H6	1.0882	2.0566	2.0566	3.0208	3.0208		1.7961	3.9710	3.9710
H7	1.0882	2.0566	2.0566	3.0208	3.0208	1.7961		3.9710	3.9710
H8	3.3075	2.0751	3.1878	1.0744	2.3441	3.9710	3.9710		2.9328
H9	3.3075	3.1878	2.0751	2.3441	1.0744	3.9710	3.9710	2.9328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	121.506	C1	N3	C5	121.506
N2	C1	N3	93.264	N2	C1	H6	112.820
N2	C1	H7	112.820	N2	C4	C5	101.862
N2	C4	H8	125.599	N3	C1	H6	112.820
N3	C1	H7	112.820	N3	C5	C4	101.862
N3	C5	H9	125.599	C4	C5	H9	132.539
C5	C4	H8	132.539	H6	C1	H7	111.223

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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