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	hartrees
Energy at 0K	-224.901120
Energy at 298.15K	-224.905486
HF Energy	-224.202277
Nuclear repulsion energy	153.987433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3111	0.54
2	A₁	3304	3100	16.79
3	A₁	1547	1451	43.62
4	A₁	1399	1313	80.13
5	A₁	1218	1143	46.90
6	A₁	1068	1002	13.07
7	A₁	956	897	2.48
8	A₂	964	904	0.00
9	A₂	603	565	0.00
10	B₁	933	876	3.24
11	B₁	863	809	13.38
12	B₁	553	519	42.74
13	B₂	3288	3086	0.28
14	B₂	1671	1568	37.36
15	B₂	1339	1257	0.06
16	B₂	1234	1158	29.72
17	B₂	1015	953	45.96
18	B₂	443	416	0.13

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.163	0.368
N3	-1.163	0.368
C4	0.726	-0.866
C5	-0.726	-0.866
H6	0.000	2.171
H7	1.389	-1.724
H8	-1.389	-1.724

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3677	1.3677	2.0848	2.0848	1.0828	3.1363	3.1363
N2	1.3677		2.3257	1.3092	2.2567	2.1452	2.1042	3.2997
N3	1.3677	2.3257		2.2567	1.3092	2.1452	3.2997	2.1042
C4	2.0848	1.3092	2.2567		1.4527	3.1226	1.0838	2.2825
C5	2.0848	2.2567	1.3092	1.4527		3.1226	2.2825	1.0838
H6	1.0828	2.1452	2.1452	3.1226	3.1226		4.1350	4.1350
H7	3.1363	2.1042	3.2997	1.0838	2.2825	4.1350		2.7777
H8	3.1363	3.2997	2.1042	2.2825	1.0838	4.1350	2.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.286	C1	N3	C5	102.286
N2	C1	N3	116.476	N2	C1	H6	121.762
N2	C4	C5	109.477	N2	C4	H7	122.844
N3	C1	H6	121.762	N3	C5	C4	109.477
N3	C5	H8	122.844	C4	C5	H8	127.679
C5	C4	H7	127.679

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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