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	hartrees
Energy at 0K	-225.044814
Energy at 298.15K
HF Energy	-224.222967
Nuclear repulsion energy	154.703439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3116	1.87
2	A₁	3306	3107	14.65
3	A₁	1481	1392	53.29
4	A₁	1410	1325	61.88
5	A₁	1245	1170	62.02
6	A₁	1082	1017	18.02
7	A₁	944	887	2.02
8	A₂	1050	987	0.00
9	A₂	620	583	0.00
10	B₁	1004	944	2.72
11	B₁	910	855	8.22
12	B₁	541	508	38.48
13	B₂	3289	3091	0.23
14	B₂	1671	1570	52.79
15	B₂	1315	1236	0.17
16	B₂	1227	1154	34.56
17	B₂	999	939	51.54
18	B₂	162i	152i	0.31

Atom	y (Å)	z (Å)
C1	0.000	1.078
N2	1.160	0.370
N3	-1.160	0.370
C4	0.716	-0.864
C5	-0.716	-0.864
H6	0.000	2.158
H7	1.374	-1.720
H8	-1.374	-1.720

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3598	1.3598	2.0698	2.0698	1.0795	3.1175	3.1175
N2	1.3598		2.3209	1.3106	2.2454	2.1319	2.1002	3.2848
N3	1.3598	2.3209		2.2454	1.3106	2.1319	3.2848	2.1002
C4	2.0698	1.3106	2.2454		1.4322	3.1052	1.0800	2.2590
C5	2.0698	2.2454	1.3106	1.4322		3.1052	2.2590	1.0800
H6	1.0795	2.1319	2.1319	3.1052	3.1052		4.1141	4.1141
H7	3.1175	2.1002	3.2848	1.0800	2.2590	4.1141		2.7486
H8	3.1175	3.2848	2.1002	2.2590	1.0800	4.1141	2.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.605	C1	N3	C5	101.605
N2	C1	N3	117.157	N2	C1	H6	121.421
N2	C4	C5	109.816	N2	C4	H7	122.634
N3	C1	H6	121.421	N3	C5	C4	109.816
N3	C5	H8	122.634	C4	C5	H8	127.549
C5	C4	H7	127.549

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

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

States and conformations

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