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	hartrees
Energy at 0K	-225.479625
Energy at 298.15K	-225.485624
HF Energy	-224.740376
Nuclear repulsion energy	165.772975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3267	3095	10.70
2	A₁	3112	2948	1.21
3	A₁	1754	1661	21.73
4	A₁	1448	1372	0.77
5	A₁	1409	1335	15.38
6	A₁	1280	1212	3.35
7	A₁	1044	989	1.33
8	A₁	936	887	16.60
9	A₂	1162	1101	0.00
10	A₂	905	857	0.00
11	A₂	535	507	0.00
12	B₁	3167	3000	0.29
13	B₁	1026	972	21.71
14	B₁	825	781	6.15
15	B₁	345	327	32.43
16	B₂	3251	3080	6.45
17	B₂	1808	1712	0.01
18	B₂	1436	1361	41.84
19	B₂	1252	1186	2.63
20	B₂	1097	1039	26.73
21	B₂	939	889	65.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.212
N2	0.000	0.997	0.283
N3	0.000	-0.997	0.283
C4	0.000	0.734	-0.953
C5	0.000	-0.734	-0.953
H6	-0.903	0.000	1.843
H7	0.903	0.000	1.843
H8	0.000	1.493	-1.739
H9	0.000	-1.493	-1.739

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3633	1.3633	2.2857	2.2857	1.1020	1.1020	3.3072	3.3072
N2	1.3633		1.9950	1.2632	2.1270	2.0607	2.0607	2.0816	3.2078
N3	1.3633	1.9950		2.1270	1.2632	2.0607	2.0607	3.2078	2.0816
C4	2.2857	1.2632	2.1270		1.4679	3.0286	3.0286	1.0929	2.3616
C5	2.2857	2.1270	1.2632	1.4679		3.0286	3.0286	2.3616	1.0929
H6	1.1020	2.0607	2.0607	3.0286	3.0286		1.8063	3.9848	3.9848
H7	1.1020	2.0607	2.0607	3.0286	3.0286	1.8063		3.9848	3.9848
H8	3.3072	2.0816	3.2078	1.0929	2.3616	3.9848	3.9848		2.9858
H9	3.3072	3.2078	2.0816	2.3616	1.0929	3.9848	3.9848	2.9858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.930	C1	N3	C5	120.930
N2	C1	N3	94.053	N2	C1	H6	112.988
N2	C1	H7	112.988	N2	C4	C5	102.043
N2	C4	H8	123.972	N3	C1	H6	112.988
N3	C1	H7	112.988	N3	C5	C4	102.043
N3	C5	H9	123.972	C4	C5	H9	133.985
C5	C4	H8	133.985	H6	C1	H7	110.091

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

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

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