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	hartrees
Energy at 0K	-224.896703
Energy at 298.15K
HF Energy	-224.213453
Nuclear repulsion energy	153.974415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3340	3142	0.77
2	A₁	3329	3132	18.25
3	A₁	1497	1408	60.90
4	A₁	1416	1332	88.90
5	A₁	1235	1162	57.48
6	A₁	1083	1018	19.26
7	A₁	942	886	1.05
8	A₂	972	915	0.00
9	A₂	592	557	0.00
10	B₁	959	903	2.49
11	B₁	884	832	17.94
12	B₁	527	495	43.96
13	B₂	3313	3116	0.52
14	B₂	1678	1578	83.09
15	B₂	1332	1253	0.22
16	B₂	1237	1163	45.17
17	B₂	997	938	40.87
18	B₂	284i	268i	0.23

Atom	y (Å)	z (Å)
C1	0.000	1.087
N2	1.165	0.370
N3	-1.165	0.370
C4	0.719	-0.869
C5	-0.719	-0.869
H6	0.000	2.166
H7	1.379	-1.724
H8	-1.379	-1.724

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3680	1.3680	2.0837	2.0837	1.0791	3.1307	3.1307
N2	1.3680		2.3307	1.3173	2.2553	2.1406	2.1050	3.2954
N3	1.3680	2.3307		2.2553	1.3173	2.1406	3.2954	2.1050
C4	2.0837	1.3173	2.2553		1.4377	3.1189	1.0800	2.2654
C5	2.0837	2.2553	1.3173	1.4377		3.1189	2.2654	1.0800
H6	1.0791	2.1406	2.1406	3.1189	3.1189		4.1269	4.1269
H7	3.1307	2.1050	3.2954	1.0800	2.2654	4.1269		2.7582
H8	3.1307	3.2954	2.1050	2.2654	1.0800	4.1269	2.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.771	C1	N3	C5	101.771
N2	C1	N3	116.834	N2	C1	H6	121.583
N2	C4	C5	109.812	N2	C4	H7	122.503
N3	C1	H6	121.583	N3	C5	C4	109.812
N3	C5	H8	122.503	C4	C5	H8	127.685
C5	C4	H7	127.685

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

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

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: MP2/6-31+G**

States and conformations

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