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	hartrees
Energy at 0K	-224.881701
Energy at 298.15K
HF Energy	-224.206704
Nuclear repulsion energy	154.136875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3336	3124	1.14
2	A₁	3327	3115	22.77
3	A₁	1515	1419	56.21
4	A₁	1422	1332	81.26
5	A₁	1231	1153	55.68
6	A₁	1087	1018	23.20
7	A₁	944	884	1.94
8	A₂	1005	942	0.00
9	A₂	609	570	0.00
10	B₁	964	903	3.90
11	B₁	895	838	8.85
12	B₁	535	501	42.73
13	B₂	3310	3100	0.08
14	B₂	1692	1584	57.12
15	B₂	1339	1254	0.05
16	B₂	1242	1163	38.38
17	B₂	998	934	44.97
18	B₂	303i	284i	0.13

Atom	y (Å)	z (Å)
C1	0.000	1.083
N2	1.166	0.370
N3	-1.166	0.370
C4	0.718	-0.866
C5	-0.718	-0.866
H6	0.000	2.163
H7	1.377	-1.723
H8	-1.377	-1.723

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3673	1.3673	2.0779	2.0779	1.0795	3.1258	3.1258
N2	1.3673		2.3324	1.3146	2.2539	2.1391	2.1032	3.2932
N3	1.3673	2.3324		2.2539	1.3146	2.1391	3.2932	2.1032
C4	2.0779	1.3146	2.2539		1.4370	3.1133	1.0802	2.2634
C5	2.0779	2.2539	1.3146	1.4370		3.1133	2.2634	1.0802
H6	1.0795	2.1391	2.1391	3.1133	3.1133		4.1225	4.1225
H7	3.1258	2.1032	3.2932	1.0802	2.2634	4.1225		2.7531
H8	3.1258	3.2932	2.1032	2.2634	1.0802	4.1225	2.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.553	C1	N3	C5	101.553
N2	C1	N3	117.068	N2	C1	H6	121.466
N2	C4	C5	109.913	N2	C4	H7	122.555
N3	C1	H6	121.466	N3	C5	C4	109.913
N3	C5	H8	122.555	C4	C5	H8	127.532
C5	C4	H7	127.532

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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