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	hartrees
Energy at 0K	-224.958250
Energy at 298.15K	-224.962651
HF Energy	-224.218468
Nuclear repulsion energy	151.549882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3253	3184
2	A₁	3240	3171
3	A₁	1467	1436
4	A₁	1308	1280
5	A₁	1149	1124
6	A₁	988	967
7	A₁	904	884
8	A₂	863	845
9	A₂	554	543
10	B₁	852	834
11	B₁	764	748
12	B₁	517	506
13	B₂	3226	3158
14	B₂	1538	1506
15	B₂	1284	1257
16	B₂	1182	1157
17	B₂	995	974
18	B₂	766	750

Atom	y (Å)	z (Å)
C1	0.000	1.101
N2	1.182	0.375
N3	-1.182	0.375
C4	0.743	-0.880
C5	-0.743	-0.880
H6	0.000	2.195
H7	1.417	-1.744
H8	-1.417	-1.744

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3872	1.3872	2.1160	2.1160	1.0944	3.1785	3.1785
N2	1.3872		2.3648	1.3303	2.2988	2.1703	2.1326	3.3540
N3	1.3872	2.3648		2.2988	1.3303	2.1703	3.3540	2.1326
C4	2.1160	1.3303	2.2988		1.4862	3.1641	1.0957	2.3264
C5	2.1160	2.2988	1.3303	1.4862		3.1641	2.3264	1.0957
H6	1.0944	2.1703	2.1703	3.1641	3.1641		4.1867	4.1867
H7	3.1785	2.1326	3.3540	1.0957	2.3264	4.1867		2.8338
H8	3.1785	3.3540	2.1326	2.3264	1.0957	4.1867	2.8338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.253	C1	N3	C5	102.253
N2	C1	N3	116.932	N2	C1	H6	121.534
N2	C4	C5	109.282	N2	C4	H7	122.768
N3	C1	H6	121.534	N3	C5	C4	109.282
N3	C5	H8	122.768	C4	C5	H8	127.950
C5	C4	H7	127.950

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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