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	hartrees
Energy at 0K	-225.544171
Energy at 298.15K	-225.550195
HF Energy	-224.776206
Nuclear repulsion energy	166.520591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3122	11.43
2	A₁	3113	2973	0.54
3	A₁	1751	1672	22.87
4	A₁	1465	1399	4.64
5	A₁	1423	1359	13.48
6	A₁	1276	1219	3.52
7	A₁	1051	1004	1.27
8	A₁	948	905	15.27
9	A₂	1175	1123	0.00
10	A₂	907	867	0.00
11	A₂	539	515	0.00
12	B₁	3161	3019	0.16
13	B₁	1042	995	23.15
14	B₁	834	796	6.42
15	B₁	348	332	34.41
16	B₂	3253	3107	5.67
17	B₂	1809	1728	0.00
18	B₂	1441	1376	37.96
19	B₂	1267	1211	3.26
20	B₂	1104	1055	30.96
21	B₂	948	905	61.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.206
N2	0.000	0.997	0.280
N3	0.000	-0.997	0.280
C4	0.000	0.731	-0.947
C5	0.000	-0.731	-0.947
H6	-0.898	0.000	1.830
H7	0.898	0.000	1.830
H8	0.000	1.478	-1.731
H9	0.000	-1.478	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3610	1.3610	2.2734	2.2734	1.0937	1.0937	3.2876	3.2876
N2	1.3610		1.9945	1.2553	2.1190	2.0503	2.0503	2.0673	3.1887
N3	1.3610	1.9945		2.1190	1.2553	2.0503	2.0503	3.1887	2.0673
C4	2.2734	1.2553	2.1190		1.4611	3.0084	3.0084	1.0830	2.3432
C5	2.2734	2.1190	1.2553	1.4611		3.0084	3.0084	2.3432	1.0830
H6	1.0937	2.0503	2.0503	3.0084	3.0084		1.7967	3.9584	3.9584
H7	1.0937	2.0503	2.0503	3.0084	3.0084	1.7967		3.9584	3.9584
H8	3.2876	2.0673	3.1887	1.0830	2.3432	3.9584	3.9584		2.9552
H9	3.2876	3.1887	2.0673	2.3432	1.0830	3.9584	3.9584	2.9552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.616	C1	N3	C5	120.616
N2	C1	N3	94.233	N2	C1	H6	112.837
N2	C1	H7	112.837	N2	C4	C5	102.267
N2	C4	H8	124.117	N3	C1	H6	112.837
N3	C1	H7	112.837	N3	C5	C4	102.267
N3	C5	H9	124.117	C4	C5	H9	133.616
C5	C4	H8	133.616	H6	C1	H7	110.454

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

using model chemistry: CCD/6-311G**

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/6-311G**

States and conformations

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