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	hartrees
Energy at 0K	-224.873453
Energy at 298.15K	-224.877860
HF Energy	-224.184784
Nuclear repulsion energy	152.492127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3305	3305
2	A₁	3291	3291
3	A₁	1594	1594
4	A₁	1353	1353
5	A₁	1166	1166
6	A₁	1017	1017
7	A₁	909	909
8	A₂	847	847
9	A₂	566	566
10	B₁	811	811
11	B₁	760	760
12	B₁	512	512
13	B₂	3279	3279
14	B₂	1551	1551
15	B₂	1321	1321
16	B₂	1236	1236
17	B₂	1030	1030
18	B₂	834	834

Atom	y (Å)	z (Å)
C1	0.000	1.101
N2	1.174	0.370
N3	-1.174	0.370
C4	0.736	-0.876
C5	-0.736	-0.876
H6	0.000	2.184
H7	1.404	-1.731
H8	-1.404	-1.731

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3828	1.3828	2.1095	2.1095	1.0835	3.1605	3.1605
N2	1.3828		2.3482	1.3212	2.2809	2.1609	2.1136	3.3259
N3	1.3828	2.3482		2.2809	1.3212	2.1609	3.3259	2.1136
C4	2.1095	1.3212	2.2809		1.4722	3.1478	1.0846	2.3045
C5	2.1095	2.2809	1.3212	1.4722		3.1478	2.3045	1.0846
H6	1.0835	2.1609	2.1609	3.1478	3.1478		4.1592	4.1592
H7	3.1605	2.1136	3.3259	1.0846	2.3045	4.1592		2.8082
H8	3.1605	3.3259	2.1136	2.3045	1.0846	4.1592	2.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.526	C1	N3	C5	102.526
N2	C1	N3	116.224	N2	C1	H6	121.888
N2	C4	C5	109.362	N2	C4	H7	122.624
N3	C1	H6	121.888	N3	C5	C4	109.362
N3	C5	H8	122.624	C4	C5	H8	128.014
C5	C4	H7	128.014

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

using model chemistry: ROMP2/6-31G*

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: ROMP2/6-31G*

States and conformations

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