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	hartrees
Energy at 0K	-223.400211
Energy at 298.15K
HF Energy	-222.911019
Nuclear repulsion energy	150.540027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3282	3182
2	A₁	3247	3149
3	A₁	1450	1407
4	A₁	1329	1289
5	A₁	1062	1030
6	A₁	925	897
7	A₁	865	839
8	A₂	1001	970
9	A₂	634	615
10	B₁	910	883
11	B₁	828	803
12	B₁	548	531
13	B₂	3229	3132
14	B₂	1517	1471
15	B₂	1296	1257
16	B₂	1191	1155
17	B₂	965	936
18	B₂	587i	569i

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		1.4220	1.4220	2.1553	2.1553	1.0805	3.2073	3.2073
N2	1.4220		2.3826	1.3248	2.3012	2.2063	2.1207	3.3397
N3	1.4220	2.3826		2.3012	1.3248	2.2063	3.3397	2.1207
C4	2.1553	1.3248	2.3012		1.4859	3.1914	1.0835	2.3076
C5	2.1553	2.3012	1.3248	1.4859		3.1914	2.3076	1.0835
H6	1.0805	2.2063	2.2063	3.1914	3.1914		4.2064	4.2064
H7	3.2073	2.1207	3.3397	1.0835	2.3076	4.2064		2.7936
H8	3.2073	3.3397	2.1207	2.3076	1.0835	4.2064	2.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.315	C1	N3	C5	103.315
N2	C1	N3	113.806	N2	C1	H6	123.097
N2	C4	C5	109.782	N2	C4	H7	123.101
N3	C1	H6	123.097	N3	C5	C4	109.782
N3	C5	H8	123.101	C4	C5	H8	127.117
C5	C4	H7	127.117

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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