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	hartrees
Energy at 0K	-224.483996
Energy at 298.15K	-224.488410
HF Energy	-224.076788
Nuclear repulsion energy	151.662599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3384	3173	0.56
2	A₁	3353	3145	5.16
3	A₁	1494	1401	41.57
4	A₁	1357	1272	62.65
5	A₁	1150	1079	45.12
6	A₁	1002	940	12.57
7	A₁	943	884	0.14
8	A₂	915	858	0.00
9	A₂	601	564	0.00
10	B₁	863	809	15.47
11	B₁	823	772	13.51
12	B₁	567	532	48.84
13	B₂	3338	3130	0.74
14	B₂	1559	1462	7.71
15	B₂	1330	1247	0.11
16	B₂	1201	1126	19.67
17	B₂	1005	942	48.40
18	B₂	574	539	2.35

Atom	y (Å)	z (Å)
C1	0.000	1.128
N2	1.170	0.367
N3	-1.170	0.367
C4	0.743	-0.886
C5	-0.743	-0.886
H6	0.000	2.204
H7	1.406	-1.736
H8	-1.406	-1.736

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3961	1.3961	2.1471	2.1471	1.0756	3.1911	3.1911
N2	1.3961		2.3399	1.3234	2.2865	2.1783	2.1160	3.3254
N3	1.3961	2.3399		2.2865	1.3234	2.1783	3.3254	2.1160
C4	2.1471	1.3234	2.2865		1.4859	3.1781	1.0783	2.3112
C5	2.1471	2.2865	1.3234	1.4859		3.1781	2.3112	1.0783
H6	1.0756	2.1783	2.1783	3.1781	3.1781		4.1836	4.1836
H7	3.1911	2.1160	3.3254	1.0783	2.3112	4.1836		2.8125
H8	3.1911	3.3254	2.1160	2.3112	1.0783	4.1836	2.8125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	104.245	C1	N3	C5	104.245
N2	C1	N3	113.862	N2	C1	H6	123.069
N2	C4	C5	108.824	N2	C4	H7	123.213
N3	C1	H6	123.069	N3	C5	C4	108.824
N3	C5	H8	123.213	C4	C5	H8	127.963
C5	C4	H7	127.963

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

using model chemistry: CISD/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: CISD/6-31G

States and conformations

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