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	hartrees
Energy at 0K	-225.000866
Energy at 298.15K	-225.005232
HF Energy	-224.229972
Nuclear repulsion energy	151.200574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3244	3172
2	A₁	3233	3161
3	A₁	1433	1401
4	A₁	1292	1263
5	A₁	1134	1109
6	A₁	982	961
7	A₁	893	873
8	A₂	833	815
9	A₂	532	520
10	B₁	842	823
11	B₁	751	735
12	B₁	510	499
13	B₂	3219	3147
14	B₂	1503	1470
15	B₂	1274	1246
16	B₂	1171	1145
17	B₂	991	969
18	B₂	778	761

Atom	y (Å)	z (Å)
C1	0.000	1.109
N2	1.181	0.376
N3	-1.181	0.376
C4	0.744	-0.886
C5	-0.744	-0.886
H6	0.000	2.201
H7	1.419	-1.747
H8	-1.419	-1.747

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3900	1.3900	2.1285	2.1285	1.0924	3.1882	3.1882
N2	1.3900		2.3629	1.3357	2.3020	2.1738	2.1361	3.3568
N3	1.3900	2.3629		2.3020	1.3357	2.1738	3.3568	2.1361
C4	2.1285	1.3357	2.3020		1.4877	3.1750	1.0939	2.3277
C5	2.1285	2.3020	1.3357	1.4877		3.1750	2.3277	1.0939
H6	1.0924	2.1738	2.1738	3.1750	3.1750		4.1948	4.1948
H7	3.1882	2.1361	3.3568	1.0939	2.3277	4.1948		2.8376
H8	3.1882	3.3568	2.1361	2.3277	1.0939	4.1948	2.8376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.666	C1	N3	C5	102.666
N2	C1	N3	116.419	N2	C1	H6	121.791
N2	C4	C5	109.125	N2	C4	H7	122.778
N3	C1	H6	121.791	N3	C5	C4	109.125
N3	C5	H8	122.778	C4	C5	H8	128.097
C5	C4	H7	128.097

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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