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	hartrees
Energy at 0K	-225.481099
Energy at 298.15K	-225.487095
HF Energy	-224.740239
Nuclear repulsion energy	165.716587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3132	11.05
2	A₁	3111	2984	1.41
3	A₁	1752	1681	23.38
4	A₁	1446	1388	1.10
5	A₁	1408	1351	14.56
6	A₁	1277	1225	3.68
7	A₁	1041	998	1.62
8	A₁	931	893	16.29
9	A₂	1162	1115	0.00
10	A₂	904	868	0.00
11	A₂	534	512	0.00
12	B₁	3165	3037	0.36
13	B₁	1026	984	21.46
14	B₁	824	791	6.14
15	B₁	345	331	32.52
16	B₂	3249	3117	6.86
17	B₂	1803	1730	0.00
18	B₂	1433	1375	42.51
19	B₂	1250	1199	3.04
20	B₂	1096	1051	26.55
21	B₂	937	899	66.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.212
N2	0.000	0.998	0.283
N3	0.000	-0.998	0.283
C4	0.000	0.735	-0.953
C5	0.000	-0.735	-0.953
H6	-0.903	0.000	1.844
H7	0.903	0.000	1.844
H8	0.000	1.494	-1.739
H9	0.000	-1.494	-1.739

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3635	1.3635	2.2868	2.2868	1.1020	1.1020	3.3083	3.3083
N2	1.3635		1.9950	1.2636	2.1280	2.0610	2.0610	2.0820	3.2090
N3	1.3635	1.9950		2.1280	1.2636	2.0610	2.0610	3.2090	2.0820
C4	2.2868	1.2636	2.1280		1.4694	3.0296	3.0296	1.0931	2.3637
C5	2.2868	2.1280	1.2636	1.4694		3.0296	3.0296	2.3637	1.0931
H6	1.1020	2.0610	2.0610	3.0296	3.0296		1.8065	3.9858	3.9858
H7	1.1020	2.0610	2.0610	3.0296	3.0296	1.8065		3.9858	3.9858
H8	3.3083	2.0820	3.2090	1.0931	2.3637	3.9858	3.9858		2.9890
H9	3.3083	3.2090	2.0820	2.3637	1.0931	3.9858	3.9858	2.9890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	120.977	C1	N3	C5	120.977
N2	C1	N3	94.036	N2	C1	H6	112.992
N2	C1	H7	112.992	N2	C4	C5	102.005
N2	C4	H8	123.964	N3	C1	H6	112.992
N3	C1	H7	112.992	N3	C5	C4	102.005
N3	C5	H9	123.964	C4	C5	H9	134.032
C5	C4	H8	134.032	H6	C1	H7	110.090

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

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

States and conformations

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