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	hartrees
Energy at 0K	-225.683508
Energy at 298.15K	-225.689573
HF Energy	-224.805031
Nuclear repulsion energy	167.042236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3055	10.56
2	A₁	3113	2907	0.25
3	A₁	1748	1632	24.09
4	A₁	1454	1358	2.20
5	A₁	1424	1329	19.79
6	A₁	1272	1188	2.43
7	A₁	1053	983	1.00
8	A₁	952	888	14.61
9	A₂	1180	1102	0.00
10	A₂	942	880	0.00
11	A₂	552	516	0.00
12	B₁	3159	2950	0.06
13	B₁	1038	970	23.48
14	B₁	845	789	5.44
15	B₁	363	339	34.29
16	B₂	3257	3041	4.21
17	B₂	1811	1691	0.02
18	B₂	1437	1342	34.86
19	B₂	1274	1190	1.96
20	B₂	1101	1028	34.67
21	B₂	950	887	62.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.201
N2	0.000	0.997	0.279
N3	0.000	-0.997	0.279
C4	0.000	0.727	-0.943
C5	0.000	-0.727	-0.943
H6	-0.893	0.000	1.825
H7	0.893	0.000	1.825
H8	0.000	1.468	-1.725
H9	0.000	-1.468	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3582	1.3582	2.2640	2.2640	1.0885	1.0885	3.2742	3.2742
N2	1.3582		1.9940	1.2511	2.1131	2.0444	2.0444	2.0588	3.1771
N3	1.3582	1.9940		2.1131	1.2511	2.0444	2.0444	3.1771	2.0588
C4	2.2640	1.2511	2.1131		1.4543	2.9972	2.9972	1.0777	2.3308
C5	2.2640	2.1131	1.2511	1.4543		2.9972	2.9972	2.3308	1.0777
H6	1.0885	2.0444	2.0444	2.9972	2.9972		1.7850	3.9437	3.9437
H7	1.0885	2.0444	2.0444	2.9972	2.9972	1.7850		3.9437	3.9437
H8	3.2742	2.0588	3.1771	1.0777	2.3308	3.9437	3.9437		2.9367
H9	3.2742	3.1771	2.0588	2.3308	1.0777	3.9437	3.9437	2.9367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.321	C1	N3	C5	120.321
N2	C1	N3	94.450	N2	C1	H6	112.880
N2	C1	H7	112.880	N2	C4	C5	102.454
N2	C4	H8	124.097	N3	C1	H6	112.880
N3	C1	H7	112.880	N3	C5	C4	102.454
N3	C5	H9	124.097	C4	C5	H9	133.449
C5	C4	H8	133.449	H6	C1	H7	110.149

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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