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	hartrees
Energy at 0K	-221.610700
Energy at 298.15K
HF Energy	-221.378706
Nuclear repulsion energy	149.887475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3550	3156	0.06
2	A₁	3545	3151	20.09
3	A₁	1663	1478	36.32
4	A₁	1347	1198	35.39
5	A₁	1119	995	32.75
6	A₁	969	861	37.17
7	A₁	925	822	8.25
8	A₂	1076	956	0.00
9	A₂	661	587	0.00
10	B₁	998	887	4.11
11	B₁	741	659	0.02
12	B₁	563	501	22.45
13	B₂	3535	3142	0.95
14	B₂	1651	1467	2.34
15	B₂	1338	1190	0.53
16	B₂	1202	1068	1.89
17	B₂	1022	909	22.51
18	B₂	523i	465i	4.40

Atom	y (Å)	z (Å)
C1	0.000	1.126
N2	1.216	0.358
N3	-1.216	0.358
C4	0.748	-0.872
C5	-0.748	-0.872
H6	0.000	2.229
H7	1.396	-1.764
H8	-1.396	-1.764

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4382	1.4382	2.1335	2.1335	1.1032	3.2094	3.2094
N2	1.4382		2.4324	1.3166	2.3176	2.2314	2.1297	3.3656
N3	1.4382	2.4324		2.3176	1.3166	2.2314	3.3656	2.1297
C4	2.1335	1.3166	2.3176		1.4956	3.1902	1.1024	2.3218
C5	2.1335	2.3176	1.3166	1.4956		3.1902	2.3218	1.1024
H6	1.1032	2.2314	2.2314	3.1902	3.1902		4.2300	4.2300
H7	3.2094	2.1297	3.3656	1.1024	2.3218	4.2300		2.7919
H8	3.2094	3.3656	2.1297	2.3218	1.1024	4.2300	2.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.419	C1	N3	C5	101.419
N2	C1	N3	115.477	N2	C1	H6	122.261
N2	C4	C5	110.842	N2	C4	H7	123.145
N3	C1	H6	122.261	N3	C5	C4	110.842
N3	C5	H8	123.145	C4	C5	H8	126.013
C5	C4	H7	126.013

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

using model chemistry: MP2=FULL/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 C3H3N2 (imidazolyl radical)

using model chemistry: MP2=FULL/STO-3G

States and conformations

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