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	hartrees
Energy at 0K	-224.919601
Energy at 298.15K
HF Energy	-224.213562
Nuclear repulsion energy	154.106016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3343	3139	0.70
2	A₁	3332	3129	17.93
3	A₁	1498	1407	58.70
4	A₁	1418	1331	89.17
5	A₁	1238	1162	57.00
6	A₁	1083	1018	18.99
7	A₁	943	886	1.07
8	A₂	977	918	0.00
9	A₂	594	558	0.00
10	B₁	963	905	2.44
11	B₁	887	833	18.03
12	B₁	528	496	43.77
13	B₂	3315	3113	0.54
14	B₂	1679	1577	82.13
15	B₂	1334	1253	0.21
16	B₂	1239	1163	44.66
17	B₂	999	938	41.26
18	B₂	262i	246i	0.26

Atom	y (Å)	z (Å)
C1	0.000	1.086
N2	1.164	0.370
N3	-1.164	0.370
C4	0.718	-0.868
C5	-0.718	-0.868
H6	0.000	2.164
H7	1.378	-1.722
H8	-1.378	-1.722

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3667	1.3667	2.0824	2.0824	1.0782	3.1283	3.1283
N2	1.3667		2.3281	1.3161	2.2533	2.1388	2.1032	3.2925
N3	1.3667	2.3281		2.2533	1.3161	2.1388	3.2925	2.1032
C4	2.0824	1.3161	2.2533		1.4368	3.1166	1.0791	2.2638
C5	2.0824	2.2533	1.3161	1.4368		3.1166	2.2638	1.0791
H6	1.0782	2.1388	2.1388	3.1166	3.1166		4.1237	4.1237
H7	3.1283	2.1032	3.2925	1.0791	2.2638	4.1237		2.7564
H8	3.1283	3.2925	2.1032	2.2638	1.0791	4.1237	2.7564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.808	C1	N3	C5	101.808
N2	C1	N3	116.800	N2	C1	H6	121.600
N2	C4	C5	109.792	N2	C4	H7	122.514
N3	C1	H6	121.600	N3	C5	C4	109.792
N3	C5	H8	122.514	C4	C5	H8	127.694
C5	C4	H7	127.694

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

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

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/6-31+G**

States and conformations

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