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	hartrees
Energy at 0K	-224.923175
Energy at 298.15K	-224.927618
HF Energy	-224.207012
Nuclear repulsion energy	152.679314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3126	3.16
2	A₁	3310	3116	12.11
3	A₁	1502	1414	14.31
4	A₁	1346	1267	48.76
5	A₁	1166	1098	25.24
6	A₁	1022	962	2.69
7	A₁	923	869	3.53
8	A₂	862	811	0.00
9	A₂	565	532	0.00
10	B₁	850	800	1.20
11	B₁	773	728	19.26
12	B₁	529	498	31.68
13	B₂	3297	3104	2.26
14	B₂	1572	1480	14.20
15	B₂	1332	1254	0.00
16	B₂	1215	1144	6.08
17	B₂	1019	959	56.70
18	B₂	805	758	0.09

Atom	y (Å)	z (Å)
C1	0.000	1.098
N2	1.171	0.372
N3	-1.171	0.372
C4	0.738	-0.876
C5	-0.738	-0.876
H6	0.000	2.177
H7	1.400	-1.729
H8	-1.400	-1.729

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3783	1.3783	2.1080	2.1080	1.0787	3.1550	3.1550
N2	1.3783		2.3426	1.3214	2.2807	2.1520	2.1131	3.3205
N3	1.3783	2.3426		2.2807	1.3214	2.1520	3.3205	2.1131
C4	2.1080	1.3214	2.2807		1.4751	3.1413	1.0798	2.3015
C5	2.1080	2.2807	1.3214	1.4751		3.1413	2.3015	1.0798
H6	1.0787	2.1520	2.1520	3.1413	3.1413		4.1493	4.1493
H7	3.1550	2.1131	3.3205	1.0798	2.3015	4.1493		2.8005
H8	3.1550	3.3205	2.1131	2.3015	1.0798	4.1493	2.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.650	C1	N3	C5	102.650
N2	C1	N3	116.377	N2	C1	H6	121.811
N2	C4	C5	109.162	N2	C4	H7	122.976
N3	C1	H6	121.811	N3	C5	C4	109.162
N3	C5	H8	122.976	C4	C5	H8	127.862
C5	C4	H7	127.862

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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