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	hartrees
Energy at 0K	-224.782810
Energy at 298.15K	-224.787363
HF Energy	-224.203019
Nuclear repulsion energy	154.399605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3124	1.71
2	A₁	3368	3111	15.00
3	A₁	1574	1454	37.72
4	A₁	1408	1301	81.25
5	A₁	1237	1143	38.62
6	A₁	1076	994	6.62
7	A₁	972	898	3.31
8	A₂	962	889	0.00
9	A₂	605	559	0.00
10	B₁	933	862	1.99
11	B₁	861	795	15.25
12	B₁	574	531	42.57
13	B₂	3353	3097	0.54
14	B₂	1671	1544	31.56
15	B₂	1368	1263	0.02
16	B₂	1248	1152	25.43
17	B₂	1047	967	48.43
18	B₂	682	630	0.01

Atom	y (Å)	z (Å)
C1	0.000	1.087
N2	1.156	0.367
N3	-1.156	0.367
C4	0.729	-0.866
C5	-0.729	-0.866
H6	0.000	2.164
H7	1.390	-1.718
H8	-1.390	-1.718

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3614	1.3614	2.0840	2.0840	1.0772	3.1300	3.1300
N2	1.3614		2.3118	1.3050	2.2522	2.1363	2.0983	3.2906
N3	1.3614	2.3118		2.2522	1.3050	2.1363	3.2906	2.0983
C4	2.0840	1.3050	2.2522		1.4575	3.1161	1.0784	2.2834
C5	2.0840	2.2522	1.3050	1.4575		3.1161	2.2834	1.0784
H6	1.0772	2.1363	2.1363	3.1161	3.1161		4.1231	4.1231
H7	3.1300	2.0983	3.2906	1.0784	2.2834	4.1231		2.7793
H8	3.1300	3.2906	2.0983	2.2834	1.0784	4.1231	2.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.788	C1	N3	C5	102.788
N2	C1	N3	116.211	N2	C1	H6	121.894
N2	C4	C5	109.107	N2	C4	H7	123.098
N3	C1	H6	121.894	N3	C5	C4	109.107
N3	C5	H8	123.098	C4	C5	H8	127.795
C5	C4	H7	127.795

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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