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	hartrees
Energy at 0K	-225.057629
Energy at 298.15K
HF Energy	-224.266999
Nuclear repulsion energy	154.581077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3149	0.51
2	A₁	3293	3137	19.66
3	A₁	1492	1421	73.58
4	A₁	1405	1339	68.14
5	A₁	1222	1164	61.68
6	A₁	1070	1019	18.65
7	A₁	953	908	0.86
8	A₂	899	857	0.00
9	A₂	585	557	0.00
10	B₁	886	844	0.31
11	B₁	860	820	18.49
12	B₁	509	485	38.10
13	B₂	3277	3122	0.32
14	B₂	1671	1592	74.21
15	B₂	1331	1268	0.32
16	B₂	1238	1180	42.23
17	B₂	1002	955	43.96
18	B₂	366i	349i	0.62

Atom	y (Å)	z (Å)
C1	0.000	1.083
N2	1.160	0.368
N3	-1.160	0.368
C4	0.718	-0.864
C5	-0.718	-0.864
H6	0.000	2.162
H7	1.378	-1.719
H8	-1.378	-1.719

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3629	1.3629	2.0753	2.0753	1.0786	3.1222	3.1222
N2	1.3629		2.3201	1.3089	2.2460	2.1363	2.0977	3.2856
N3	1.3629	2.3201		2.2460	1.3089	2.1363	3.2856	2.0977
C4	2.0753	1.3089	2.2460		1.4358	3.1098	1.0797	2.2634
C5	2.0753	2.2460	1.3089	1.4358		3.1098	2.2634	1.0797
H6	1.0786	2.1363	2.1363	3.1098	3.1098		4.1177	4.1177
H7	3.1222	2.0977	3.2856	1.0797	2.2634	4.1177		2.7562
H8	3.1222	3.2856	2.0977	2.2634	1.0797	4.1177	2.7562

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.914	C1	N3	C5	101.914
N2	C1	N3	116.684	N2	C1	H6	121.658
N2	C4	C5	109.744	N2	C4	H7	122.563
N3	C1	H6	121.658	N3	C5	C4	109.744
N3	C5	H8	122.563	C4	C5	H8	127.693
C5	C4	H7	127.693

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

using model chemistry: MP2=FULL/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=FULL/TZVP

States and conformations

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