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	hartrees
Energy at 0K	-223.408334
Energy at 298.15K
HF Energy	-222.911050
Nuclear repulsion energy	150.556405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3282	3213
2	A₁	3247	3178
3	A₁	1451	1420
4	A₁	1329	1301
5	A₁	1062	1040
6	A₁	925	906
7	A₁	865	847
8	A₂	1001	980
9	A₂	634	621
10	B₁	911	892
11	B₁	829	811
12	B₁	548	537
13	B₂	3230	3161
14	B₂	1517	1485
15	B₂	1297	1269
16	B₂	1191	1166
17	B₂	965	945
18	B₂	587i	574i

Atom	y (Å)	z (Å)
C1	0.000	1.138
N2	1.191	0.362
N3	-1.191	0.362
C4	0.743	-0.885
C5	-0.743	-0.885
H6	0.000	2.219
H7	1.397	-1.749
H8	-1.397	-1.749

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4218	1.4218	2.1551	2.1551	1.0804	3.2070	3.2070
N2	1.4218		2.3822	1.3247	2.3009	2.2060	2.1204	3.3393
N3	1.4218	2.3822		2.3009	1.3247	2.2060	3.3393	2.1204
C4	2.1551	1.3247	2.3009		1.4857	3.1911	1.0834	2.3075
C5	2.1551	2.3009	1.3247	1.4857		3.1911	2.3075	1.0834
H6	1.0804	2.2060	2.2060	3.1911	3.1911		4.2060	4.2060
H7	3.2070	2.1204	3.3393	1.0834	2.3075	4.2060		2.7936
H8	3.2070	3.3393	2.1204	2.3075	1.0834	4.2060	2.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.321	C1	N3	C5	103.321
N2	C1	N3	113.803	N2	C1	H6	123.099
N2	C4	C5	109.778	N2	C4	H7	123.096
N3	C1	H6	123.099	N3	C5	C4	109.778
N3	C5	H8	123.096	C4	C5	H8	127.127
C5	C4	H7	127.127

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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