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	hartrees
Energy at 0K	-224.354721
Energy at 298.15K	-224.359027
HF Energy	-224.354721
Nuclear repulsion energy	153.662295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3114	0.00
2	A₁	3141	3109	6.56
3	A₁	1444	1429	31.26
4	A₁	1283	1270	44.71
5	A₁	1183	1171	21.29
6	A₁	975	965	1.50
7	A₁	899	890	4.94
8	A₂	857	848	0.00
9	A₂	544	539	0.00
10	B₁	858	849	0.02
11	B₁	687	680	35.89
12	B₁	431	427	20.61
13	B₂	3129	3097	0.00
14	B₂	1503	1487	18.46
15	B₂	1239	1226	0.29
16	B₂	1166	1154	0.66
17	B₂	1024	1014	99.08
18	B₂	811	802	0.21

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.159	0.371
N3	-1.159	0.371
C4	0.732	-0.871
C5	-0.732	-0.871
H6	0.000	2.181
H7	1.410	-1.728
H8	-1.410	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3630	1.3630	2.0913	2.0913	1.0928	3.1493	3.1493
N2	1.3630		2.3181	1.3128	2.2625	2.1494	2.1136	3.3175
N3	1.3630	2.3181		2.2625	1.3128	2.1494	3.3175	2.1136
C4	2.0913	1.3128	2.2625		1.4648	3.1383	1.0927	2.3078
C5	2.0913	2.2625	1.3128	1.4648		3.1383	2.3078	1.0927
H6	1.0928	2.1494	2.1494	3.1383	3.1383		4.1553	4.1553
H7	3.1493	2.1136	3.3175	1.0927	2.3078	4.1553		2.8207
H8	3.1493	3.3175	2.1136	2.3078	1.0927	4.1553	2.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.786	C1	N3	C5	102.786
N2	C1	N3	116.499	N2	C1	H6	121.751
N2	C4	C5	108.964	N2	C4	H7	122.690
N3	C1	H6	121.751	N3	C5	C4	108.964
N3	C5	H8	122.690	C4	C5	H8	128.346
C5	C4	H7	128.346

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

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.106
2	N	-0.257
3	N	-0.257
4	C	-0.033
5	C	-0.033
6	H	0.163
7	H	0.155
8	H	0.155

<r²>	75.966
(<r²>)^1/2	8.716

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

using model chemistry: SVWN/6-311G**

States and conformations

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