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	hartrees
Energy at 0K	-224.972165
Energy at 298.15K
HF Energy	-224.266945
Nuclear repulsion energy	154.487115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3133	0.52
2	A₁	3293	3122	20.11
3	A₁	1491	1414	75.41
4	A₁	1405	1331	67.83
5	A₁	1220	1157	61.94
6	A₁	1069	1014	18.86
7	A₁	952	902	0.85
8	A₂	895	849	0.00
9	A₂	584	553	0.00
10	B₁	883	837	0.21
11	B₁	859	814	18.60
12	B₁	508	481	38.13
13	B₂	3277	3106	0.30
14	B₂	1671	1584	74.92
15	B₂	1330	1260	0.33
16	B₂	1237	1173	42.46
17	B₂	1001	949	43.74
18	B₂	378i	358i	0.60

Atom	y (Å)	z (Å)
C1	0.000	1.084
N2	1.161	0.368
N3	-1.161	0.368
C4	0.718	-0.865
C5	-0.718	-0.865
H6	0.000	2.163
H7	1.379	-1.720
H8	-1.379	-1.720

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3637	1.3637	2.0764	2.0764	1.0793	3.1240	3.1240
N2	1.3637		2.3218	1.3097	2.2473	2.1376	2.0990	3.2876
N3	1.3637	2.3218		2.2473	1.3097	2.1376	3.2876	2.0990
C4	2.0764	1.3097	2.2473		1.4365	3.1116	1.0804	2.2646
C5	2.0764	2.2473	1.3097	1.4365		3.1116	2.2646	1.0804
H6	1.0793	2.1376	2.1376	3.1116	3.1116		4.1201	4.1201
H7	3.1240	2.0990	3.2876	1.0804	2.2646	4.1201		2.7575
H8	3.1240	3.2876	2.0990	2.2646	1.0804	4.1201	2.7575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.897	C1	N3	C5	101.897
N2	C1	N3	116.698	N2	C1	H6	121.651
N2	C4	C5	109.755	N2	C4	H7	122.557
N3	C1	H6	121.651	N3	C5	C4	109.755
N3	C5	H8	122.557	C4	C5	H8	127.688
C5	C4	H7	127.688

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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