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	hartrees
Energy at 0K	-225.187029
Energy at 298.15K	-225.182378
HF Energy	-224.202670
Nuclear repulsion energy	154.305366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3429	3429	6.72
2	A₁	3413	3413	12.98
3	A₁	1596	1596	28.74
4	A₁	1397	1397	68.79
5	A₁	1232	1232	24.84
6	A₁	1045	1045	0.27
7	A₁	992	992	4.09
8	A₂	922	922	0.00
9	A₂	603	603	0.00
10	B₁	900	900	0.44
11	B₁	827	827	18.88
12	B₁	608	608	37.69
13	B₂	3399	3399	2.79
14	B₂	1645	1645	23.40
15	B₂	1398	1398	0.00
16	B₂	1240	1240	16.61
17	B₂	1128	1128	44.56
18	B₂	902	902	5.77

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.151	0.368
N3	-1.151	0.368
C4	0.740	-0.868
C5	-0.740	-0.868
H6	0.000	2.162
H7	1.404	-1.714
H8	-1.404	-1.714

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3578	1.3578	2.0912	2.0912	1.0738	3.1341	3.1341
N2	1.3578		2.3014	1.3016	2.2584	2.1318	2.0966	3.2951
N3	1.3578	2.3014		2.2584	1.3016	2.1318	3.2951	2.0966
C4	2.0912	1.3016	2.2584		1.4801	3.1188	1.0755	2.3049
C5	2.0912	2.2584	1.3016	1.4801		3.1188	2.3049	1.0755
H6	1.0738	2.1318	2.1318	3.1188	3.1188		4.1223	4.1223
H7	3.1341	2.0966	3.2951	1.0755	2.3049	4.1223		2.8080
H8	3.1341	3.2951	2.0966	2.3049	1.0755	4.1223	2.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.673	C1	N3	C5	103.673
N2	C1	N3	115.876	N2	C1	H6	122.062
N2	C4	C5	108.389	N2	C4	H7	123.490
N3	C1	H6	122.062	N3	C5	C4	108.389
N3	C5	H8	123.490	C4	C5	H8	128.121
C5	C4	H7	128.121

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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