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	hartrees
Energy at 0K	-224.203663
Energy at 298.15K	-224.208002
HF Energy	-224.203663
Nuclear repulsion energy	151.324067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3330	3156	0.66
2	A₁	3309	3137	1.29
3	A₁	1373	1301	11.09
4	A₁	1302	1234	38.89
5	A₁	1127	1068	51.88
6	A₁	939	890	7.36
7	A₁	900	853	0.17
8	A₂	935	886	0.00
9	A₂	588	557	0.00
10	B₁	869	824	0.17
11	B₁	802	761	53.21
12	B₁	519	492	34.78
13	B₂	3295	3123	0.57
14	B₂	1472	1395	0.58
15	B₂	1286	1218	0.01
16	B₂	1179	1118	8.59
17	B₂	962	912	52.83
18	B₂	602	571	14.74

Atom	y (Å)	z (Å)
C1	0.000	1.136
N2	1.161	0.370
N3	-1.161	0.370
C4	0.749	-0.894
C5	-0.749	-0.894
H6	0.000	2.213
H7	1.409	-1.745
H8	-1.409	-1.745

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3910	1.3910	2.1639	2.1639	1.0768	3.2076	3.2076
N2	1.3910		2.3223	1.3301	2.2904	2.1780	2.1301	3.3292
N3	1.3910	2.3223		2.2904	1.3301	2.1780	3.3292	2.1301
C4	2.1639	1.3301	2.2904		1.4971	3.1960	1.0776	2.3197
C5	2.1639	2.2904	1.3301	1.4971		3.1960	2.3197	1.0776
H6	1.0768	2.1780	2.1780	3.1960	3.1960		4.2017	4.2017
H7	3.2076	2.1301	3.3292	1.0776	2.3197	4.2017		2.8188
H8	3.2076	3.3292	2.1301	2.3197	1.0776	4.2017	2.8188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	105.332	C1	N3	C5	105.332
N2	C1	N3	113.189	N2	C1	H6	123.406
N2	C4	C5	108.074	N2	C4	H7	124.100
N3	C1	H6	123.406	N3	C5	C4	108.074
N3	C5	H8	124.100	C4	C5	H8	127.826
C5	C4	H7	127.826

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)

using model chemistry: wB97X-D/3-21G*

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 C3H3N2 (imidazolyl radical)

using model chemistry: wB97X-D/3-21G*

States and conformations

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)