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	hartrees
Energy at 0K	-224.990889
Energy at 298.15K	-224.995166
HF Energy	-224.268085
Nuclear repulsion energy	154.332883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3107	0.05
2	A₁	3308	3094	16.77
3	A₁	1525	1426	46.85
4	A₁	1391	1301	77.20
5	A₁	1205	1127	49.02
6	A₁	1048	980	10.76
7	A₁	960	898	1.11
8	A₂	862	806	0.00
9	A₂	579	542	0.00
10	B₁	853	798	0.92
11	B₁	834	780	19.35
12	B₁	530	496	35.65
13	B₂	3293	3079	0.00
14	B₂	1654	1547	50.19
15	B₂	1340	1253	0.30
16	B₂	1235	1155	29.34
17	B₂	1016	950	41.11
18	B₂	408	382	0.44

Atom	y (Å)	z (Å)
C1	0.000	1.087
N2	1.159	0.366
N3	-1.159	0.366
C4	0.727	-0.865
C5	-0.727	-0.865
H6	0.000	2.164
H7	1.386	-1.719
H8	-1.386	-1.719

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3651	1.3651	2.0830	2.0830	1.0772	3.1296	3.1296
N2	1.3651		2.3182	1.3043	2.2524	2.1395	2.0970	3.2901
N3	1.3651	2.3182		2.2524	1.3043	2.1395	3.2901	2.0970
C4	2.0830	1.3043	2.2524		1.4545	3.1152	1.0786	2.2795
C5	2.0830	2.2524	1.3043	1.4545		3.1152	2.2795	1.0786
H6	1.0772	2.1395	2.1395	3.1152	3.1152		4.1230	4.1230
H7	3.1296	2.0970	3.2901	1.0786	2.2795	4.1230		2.7726
H8	3.1296	3.2901	2.0970	2.2795	1.0786	4.1230	2.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.553	C1	N3	C5	102.553
N2	C1	N3	116.224	N2	C1	H6	121.888
N2	C4	C5	109.335	N2	C4	H7	123.002
N3	C1	H6	121.888	N3	C5	C4	109.335
N3	C5	H8	123.002	C4	C5	H8	127.663
C5	C4	H7	127.663

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

using model chemistry: MP3/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: MP3/TZVP

States and conformations

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