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	hartrees
Energy at 0K	-225.003684
Energy at 298.15K
HF Energy	-224.222768
Nuclear repulsion energy	154.352688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3303	3119	2.53
2	A₁	3294	3111	14.68
3	A₁	1477	1395	58.78
4	A₁	1407	1328	60.94
5	A₁	1237	1168	62.91
6	A₁	1077	1017	18.44
7	A₁	940	888	2.03
8	A₂	1041	983	0.00
9	A₂	614	580	0.00
10	B₁	998	943	2.96
11	B₁	908	857	7.98
12	B₁	537	507	38.80
13	B₂	3277	3095	0.24
14	B₂	1670	1578	54.57
15	B₂	1313	1240	0.21
16	B₂	1225	1157	36.33
17	B₂	993	938	50.13
18	B₂	265i	250i	0.23

Atom	y (Å)	z (Å)
C1	0.000	1.080
N2	1.164	0.370
N3	-1.164	0.370
C4	0.717	-0.865
C5	-0.717	-0.865
H6	0.000	2.162
H7	1.378	-1.722
H8	-1.378	-1.722

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3633	1.3633	2.0736	2.0736	1.0814	3.1229	3.1229
N2	1.3633		2.3277	1.3139	2.2508	2.1362	2.1035	3.2923
N3	1.3633	2.3277		2.2508	1.3139	2.1362	3.2923	2.1035
C4	2.0736	1.3139	2.2508		1.4347	3.1109	1.0819	2.2637
C5	2.0736	2.2508	1.3139	1.4347		3.1109	2.2637	1.0819
H6	1.0814	2.1362	2.1362	3.1109	3.1109		4.1211	4.1211
H7	3.1229	2.1035	3.2923	1.0819	2.2637	4.1211		2.7558
H8	3.1229	3.2923	2.1035	2.2637	1.0819	4.1211	2.7558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.515	C1	N3	C5	101.515
N2	C1	N3	117.237	N2	C1	H6	121.382
N2	C4	C5	109.866	N2	C4	H7	122.507
N3	C1	H6	121.382	N3	C5	C4	109.866
N3	C5	H8	122.507	C4	C5	H8	127.627
C5	C4	H7	127.627

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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