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	hartrees
Energy at 0K	-225.028223
Energy at 298.15K
HF Energy	-224.245472
Nuclear repulsion energy	154.213353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3119	0.00
2	A₁	3280	3107	25.25
3	A₁	1498	1419	62.49
4	A₁	1402	1328	72.53
5	A₁	1227	1162	61.73
6	A₁	1071	1014	15.95
7	A₁	944	894	2.32
8	A₂	1005	951	0.00
9	A₂	607	575	0.00
10	B₁	963	912	2.40
11	B₁	886	839	16.60
12	B₁	527	499	43.21
13	B₂	3264	3091	0.02
14	B₂	1676	1587	64.25
15	B₂	1315	1245	0.31
16	B₂	1225	1161	41.53
17	B₂	998	945	46.80
18	B₂	276i	261i	0.41

Atom	y (Å)	z (Å)
C1	0.000	1.082
N2	1.164	0.369
N3	-1.164	0.369
C4	0.720	-0.865
C5	-0.720	-0.865
H6	0.000	2.165
H7	1.385	-1.721
H8	-1.385	-1.721

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3651	1.3651	2.0761	2.0761	1.0831	3.1269	3.1269
N2	1.3651		2.3288	1.3121	2.2530	2.1401	2.1025	3.2973
N3	1.3651	2.3288		2.2530	1.3121	2.1401	3.2973	2.1025
C4	2.0761	1.3121	2.2530		1.4403	3.1146	1.0842	2.2729
C5	2.0761	2.2530	1.3121	1.4403		3.1146	2.2729	1.0842
H6	1.0831	2.1401	2.1401	3.1146	3.1146		4.1259	4.1259
H7	3.1269	2.1025	3.2973	1.0842	2.2729	4.1259		2.7705
H8	3.1269	3.2973	2.1025	2.2729	1.0842	4.1259	2.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.673	C1	N3	C5	101.673
N2	C1	N3	117.074	N2	C1	H6	121.463
N2	C4	C5	109.790	N2	C4	H7	122.370
N3	C1	H6	121.463	N3	C5	C4	109.790
N3	C5	H8	122.370	C4	C5	H8	127.840
C5	C4	H7	127.840

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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