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	hartrees
Energy at 0K	-222.855212
Energy at 298.15K
HF Energy	-222.755915
Nuclear repulsion energy	163.282217

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3518	3518	11.71
2	A₁	3365	3365	22.47
3	A₁	1776	1776	11.09
4	A₁	1557	1557	9.93
5	A₁	1418	1418	2.61
6	A₁	1334	1334	7.22
7	A₁	1064	1064	1.75
8	A₁	938	938	8.97
9	A₂	1198	1198	0.00
10	A₂	880	880	0.00
11	A₂	549	549	0.00
12	B₁	3471	3471	12.32
13	B₁	1063	1063	4.90
14	B₁	813	813	4.11
15	B₁	274	274	32.54
16	B₂	3500	3500	0.47
17	B₂	1821	1821	1.38
18	B₂	1410	1410	5.97
19	B₂	1281	1281	10.46
20	B₂	1094	1094	9.29
21	B₂	962	962	59.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.255
N2	0.000	1.000	0.282
N3	0.000	-1.000	0.282
C4	0.000	0.740	-0.976
C5	0.000	-0.740	-0.976
H6	-0.916	0.000	1.880
H7	0.916	0.000	1.880
H8	0.000	1.505	-1.764
H9	0.000	-1.505	-1.764

	C1	N2	N3	C4	C5	H6	H7	H8	H9
C1		1.3946	1.3946	2.3500	2.3500	1.1089	1.1089	3.3728	3.3728
N2	1.3946		1.9992	1.2846	2.1466	2.0952	2.0952	2.1075	3.2338
N3	1.3946	1.9992		2.1466	1.2846	2.0952	2.0952	3.2338	2.1075
C4	2.3500	1.2846	2.1466		1.4794	3.0887	3.0887	1.0983	2.3786
C5	2.3500	2.1466	1.2846	1.4794		3.0887	3.0887	2.3786	1.0983
H6	1.1089	2.0952	2.0952	3.0887	3.0887		1.8319	4.0470	4.0470
H7	1.1089	2.0952	2.0952	3.0887	3.0887	1.8319		4.0470	4.0470
H8	3.3728	2.1075	3.2338	1.0983	2.3786	4.0470	4.0470		3.0091
H9	3.3728	3.2338	2.1075	2.3786	1.0983	4.0470	4.0470	3.0091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	122.537	C1	N3	C5	122.537
N2	C1	N3	91.576	N2	C1	H6	113.141
N2	C1	H7	113.141	N2	C4	C5	101.674
N2	C4	H8	124.183	N3	C1	H6	113.141
N3	C1	H7	113.141	N3	C5	C4	101.674
N3	C5	H9	124.183	C4	C5	H9	134.142
C5	C4	H8	134.142	H6	C1	H7	111.391

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

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