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	hartrees
Energy at 0K	-225.115623
Energy at 298.15K	-225.120065
HF Energy	-224.278363
Nuclear repulsion energy	154.404408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3123	0.05
2	A₁	3291	3109	14.91
3	A₁	1514	1430	30.90
4	A₁	1386	1309	75.22
5	A₁	1215	1148	47.75
6	A₁	1052	994	8.67
7	A₁	952	899	1.98
8	A₂	1007	952	0.00
9	A₂	606	573	0.00
10	B₁	967	913	1.59
11	B₁	878	829	16.14
12	B₁	553	523	37.62
13	B₂	3275	3093	0.00
14	B₂	1651	1560	43.89
15	B₂	1326	1253	0.11
16	B₂	1223	1155	26.40
17	B₂	1012	956	46.76
18	B₂	476	450	0.26

Atom	y (Å)	z (Å)
C1	0.000	1.085
N2	1.159	0.368
N3	-1.159	0.368
C4	0.726	-0.865
C5	-0.726	-0.865
H6	0.000	2.161
H7	1.384	-1.718
H8	-1.384	-1.718

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3631	1.3631	2.0801	2.0801	1.0761	3.1257	3.1257
N2	1.3631		2.3186	1.3063	2.2523	2.1352	2.0977	3.2890
N3	1.3631	2.3186		2.2523	1.3063	2.1352	3.2890	2.0977
C4	2.0801	1.3063	2.2523		1.4518	3.1113	1.0775	2.2758
C5	2.0801	2.2523	1.3063	1.4518		3.1113	2.2758	1.0775
H6	1.0761	2.1352	2.1352	3.1113	3.1113		4.1182	4.1182
H7	3.1257	2.0977	3.2890	1.0775	2.2758	4.1182		2.7678
H8	3.1257	3.2890	2.0977	2.2758	1.0775	4.1182	2.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.362	C1	N3	C5	102.362
N2	C1	N3	116.527	N2	C1	H6	121.736
N2	C4	C5	109.375	N2	C4	H7	122.988
N3	C1	H6	121.736	N3	C5	C4	109.375
N3	C5	H8	122.988	C4	C5	H8	127.637
C5	C4	H7	127.637

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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