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	hartrees
Energy at 0K	-225.535085
Energy at 298.15K	-225.541078
HF Energy	-224.754286
Nuclear repulsion energy	165.676874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3270	10.69
2	A₁	3103	3103	0.42
3	A₁	1728	1728	24.81
4	A₁	1441	1441	1.20
5	A₁	1407	1407	20.66
6	A₁	1270	1270	2.54
7	A₁	1042	1042	0.38
8	A₁	936	936	13.09
9	A₂	1159	1159	0.00
10	A₂	895	895	0.00
11	A₂	531	531	0.00
12	B₁	3156	3156	0.07
13	B₁	1019	1019	23.32
14	B₁	821	821	6.20
15	B₁	344	344	33.89
16	B₂	3255	3255	3.20
17	B₂	1786	1786	0.02
18	B₂	1422	1422	37.69
19	B₂	1248	1248	4.23
20	B₂	1090	1090	31.40
21	B₂	933	933	56.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.215
N2	0.000	0.998	0.283
N3	0.000	-0.998	0.283
C4	0.000	0.734	-0.954
C5	0.000	-0.734	-0.954
H6	-0.904	0.000	1.842
H7	0.904	0.000	1.842
H8	0.000	1.490	-1.739
H9	0.000	-1.490	-1.739

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3650	1.3650	2.2897	2.2897	1.1000	1.1000	3.3082	3.3082
N2	1.3650		1.9953	1.2653	2.1280	2.0595	2.0595	2.0812	3.2058
N3	1.3650	1.9953		2.1280	1.2653	2.0595	2.0595	3.2058	2.0812
C4	2.2897	1.2653	2.1280		1.4673	3.0287	3.0287	1.0898	2.3579
C5	2.2897	2.1280	1.2653	1.4673		3.0287	3.0287	2.3579	1.0898
H6	1.1000	2.0595	2.0595	3.0287	3.0287		1.8076	3.9823	3.9823
H7	1.1000	2.0595	2.0595	3.0287	3.0287	1.8076		3.9823	3.9823
H8	3.3082	2.0812	3.2058	1.0898	2.3579	3.9823	3.9823		2.9798
H9	3.3082	3.2058	2.0812	2.3579	1.0898	3.9823	3.9823	2.9798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.994	C1	N3	C5	120.994
N2	C1	N3	93.924	N2	C1	H6	112.896
N2	C1	H7	112.896	N2	C4	C5	102.045
N2	C4	H8	124.013	N3	C1	H6	112.896
N3	C1	H7	112.896	N3	C5	C4	102.045
N3	C5	H9	124.013	C4	C5	H9	133.943
C5	C4	H8	133.943	H6	C1	H7	110.492

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

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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