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	hartrees
Energy at 0K	-224.880013
Energy at 298.15K
HF Energy	-224.201180
Nuclear repulsion energy	154.166384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3120	0.01
2	A₁	3302	3111	21.44
3	A₁	1513	1425	59.51
4	A₁	1419	1337	79.16
5	A₁	1236	1165	56.75
6	A₁	1089	1026	22.46
7	A₁	947	893	2.13
8	A₂	1001	943	0.00
9	A₂	610	574	0.00
10	B₁	963	907	3.66
11	B₁	891	839	10.85
12	B₁	536	505	44.60
13	B₂	3285	3095	0.01
14	B₂	1689	1591	54.28
15	B₂	1335	1258	0.09
16	B₂	1241	1169	40.76
17	B₂	1001	943	47.57
18	B₂	288i	272i	0.14

Atom	y (Å)	z (Å)
C1	0.000	1.084
N2	1.165	0.370
N3	-1.165	0.370
C4	0.718	-0.866
C5	-0.718	-0.866
H6	0.000	2.167
H7	1.381	-1.724
H8	-1.381	-1.724

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3661	1.3661	2.0777	2.0777	1.0837	3.1292	3.1292
N2	1.3661		2.3294	1.3140	2.2520	2.1420	2.1051	3.2963
N3	1.3661	2.3294		2.2520	1.3140	2.1420	3.2963	2.1051
C4	2.0777	1.3140	2.2520		1.4361	3.1173	1.0845	2.2677
C5	2.0777	2.2520	1.3140	1.4361		3.1173	2.2677	1.0845
H6	1.0837	2.1420	2.1420	3.1173	3.1173		4.1294	4.1294
H7	3.1292	2.1051	3.2963	1.0845	2.2677	4.1294		2.7620
H8	3.1292	3.2963	2.1051	2.2677	1.0845	4.1294	2.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.637	C1	N3	C5	101.637
N2	C1	N3	116.982	N2	C1	H6	121.509
N2	C4	C5	109.872	N2	C4	H7	122.442
N3	C1	H6	121.509	N3	C5	C4	109.872
N3	C5	H8	122.442	C4	C5	H8	127.686
C5	C4	H7	127.686

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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