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	hartrees
Energy at 0K	-225.691881
Energy at 298.15K	-225.697932
HF Energy	-224.804719
Nuclear repulsion energy	166.869364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3118	11.25
2	A₁	3106	2968	0.63
3	A₁	1739	1662	26.01
4	A₁	1450	1386	3.52
5	A₁	1417	1354	16.68
6	A₁	1266	1210	2.74
7	A₁	1044	998	1.38
8	A₁	942	900	15.22
9	A₂	1177	1125	0.00
10	A₂	937	895	0.00
11	A₂	548	524	0.00
12	B₁	3151	3011	0.01
13	B₁	1037	991	22.80
14	B₁	840	803	5.85
15	B₁	362	346	34.13
16	B₂	3249	3104	4.71
17	B₂	1796	1716	0.01
18	B₂	1426	1363	35.33
19	B₂	1268	1211	2.66
20	B₂	1096	1047	34.59
21	B₂	942	900	63.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.203
N2	0.000	0.997	0.279
N3	0.000	-0.997	0.279
C4	0.000	0.729	-0.944
C5	0.000	-0.729	-0.944
H6	-0.893	0.000	1.826
H7	0.893	0.000	1.826
H8	0.000	1.471	-1.726
H9	0.000	-1.471	-1.726

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3591	1.3591	2.2675	2.2675	1.0889	1.0889	3.2776	3.2776
N2	1.3591		1.9941	1.2528	2.1156	2.0454	2.0454	2.0605	3.1803
N3	1.3591	1.9941		2.1156	1.2528	2.0454	2.0454	3.1803	2.0605
C4	2.2675	1.2528	2.1156		1.4573	3.0006	3.0006	1.0782	2.3348
C5	2.2675	2.1156	1.2528	1.4573		3.0006	3.0006	2.3348	1.0782
H6	1.0889	2.0454	2.0454	3.0006	3.0006		1.7858	3.9470	3.9470
H7	1.0889	2.0454	2.0454	3.0006	3.0006	1.7858		3.9470	3.9470
H8	3.2776	2.0605	3.1803	1.0782	2.3348	3.9470	3.9470		2.9430
H9	3.2776	3.1803	2.0605	2.3348	1.0782	3.9470	3.9470	2.9430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.435	C1	N3	C5	120.435
N2	C1	N3	94.386	N2	C1	H6	112.887
N2	C1	H7	112.887	N2	C4	C5	102.372
N2	C4	H8	124.077	N3	C1	H6	112.887
N3	C1	H7	112.887	N3	C5	C4	102.372
N3	C5	H9	124.077	C4	C5	H9	133.551
C5	C4	H8	133.551	H6	C1	H7	110.174

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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