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	hartrees
Energy at 0K	-224.299302
Energy at 298.15K	-224.303588
HF Energy	-224.299302
Nuclear repulsion energy	153.290234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3113	0.23
2	A₁	3168	3109	10.31
3	A₁	1460	1433	30.41
4	A₁	1299	1275	45.74
5	A₁	1187	1164	21.23
6	A₁	989	971	2.18
7	A₁	897	880	4.51
8	A₂	849	833	0.00
9	A₂	545	535	0.00
10	B₁	852	836	0.05
11	B₁	685	673	27.68
12	B₁	437	429	19.85
13	B₂	3156	3097	0.58
14	B₂	1520	1491	14.68
15	B₂	1261	1238	0.59
16	B₂	1182	1160	0.29
17	B₂	1038	1019	93.94
18	B₂	815	800	0.07

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.164	0.373
N3	-1.164	0.373
C4	0.733	-0.872
C5	-0.733	-0.872
H6	0.000	2.183
H7	1.410	-1.733
H8	-1.410	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3663	1.3663	2.0923	2.0923	1.0954	3.1530	3.1530
N2	1.3663		2.3288	1.3178	2.2691	2.1523	2.1198	3.3256
N3	1.3663	2.3288		2.2691	1.3178	2.1523	3.3256	2.1198
C4	2.0923	1.3178	2.2691		1.4653	3.1419	1.0949	2.3088
C5	2.0923	2.2691	1.3178	1.4653		3.1419	2.3088	1.0949
H6	1.0954	2.1523	2.1523	3.1419	3.1419		4.1618	4.1618
H7	3.1530	2.1198	3.3256	1.0949	2.3088	4.1618		2.8197
H8	3.1530	3.3256	2.1198	2.3088	1.0949	4.1618	2.8197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.420	C1	N3	C5	102.420
N2	C1	N3	116.912	N2	C1	H6	121.544
N2	C4	C5	109.124	N2	C4	H7	122.672
N3	C1	H6	121.544	N3	C5	C4	109.124
N3	C5	H8	122.672	C4	C5	H8	128.204
C5	C4	H7	128.204

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.124
2	N	-0.339
3	N	-0.339
4	C	-0.010
5	C	-0.010
6	H	0.198
7	H	0.189
8	H	0.189

<r²>	75.981
(<r²>)^1/2	8.717

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

using model chemistry: LSDA/6-31G*

States and conformations

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