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	hartrees
Energy at 0K	-224.880053
Energy at 298.15K	-224.884404
HF Energy	-224.202195
Nuclear repulsion energy	153.865463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3111	0.51
2	A₁	3303	3100	16.94
3	A₁	1545	1450	43.89
4	A₁	1398	1312	80.59
5	A₁	1216	1141	47.01
6	A₁	1067	1002	13.24
7	A₁	955	896	2.46
8	A₂	958	900	0.00
9	A₂	601	564	0.00
10	B₁	929	872	3.33
11	B₁	860	807	13.32
12	B₁	551	517	42.88
13	B₂	3287	3085	0.29
14	B₂	1669	1567	37.59
15	B₂	1338	1256	0.07
16	B₂	1233	1157	30.11
17	B₂	1013	951	45.47
18	B₂	434	407	0.11

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.164	0.368
N3	-1.164	0.368
C4	0.727	-0.867
C5	-0.727	-0.867
H6	0.000	2.171
H7	1.389	-1.725
H8	-1.389	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3690	1.3690	2.0862	2.0862	1.0831	3.1380	3.1380
N2	1.3690		2.3282	1.3103	2.2587	2.1465	2.1053	3.3019
N3	1.3690	2.3282		2.2587	1.3103	2.1465	3.3019	2.1053
C4	2.0862	1.3103	2.2587		1.4538	3.1243	1.0841	2.2837
C5	2.0862	2.2587	1.3103	1.4538		3.1243	2.2837	1.0841
H6	1.0831	2.1465	2.1465	3.1243	3.1243		4.1370	4.1370
H7	3.1380	2.1053	3.3019	1.0841	2.2837	4.1370		2.7790
H8	3.1380	3.3019	2.1053	2.2837	1.0841	4.1370	2.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.255	C1	N3	C5	102.255
N2	C1	N3	116.503	N2	C1	H6	121.748
N2	C4	C5	109.493	N2	C4	H7	122.831
N3	C1	H6	121.748	N3	C5	C4	109.493
N3	C5	H8	122.831	C4	C5	H8	127.676
C5	C4	H7	127.676

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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