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	hartrees
Energy at 0K	-224.999425
Energy at 298.15K	-225.003798
HF Energy	-224.230284
Nuclear repulsion energy	151.330886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3243	3122
2	A₁	3235	3114
3	A₁	1440	1386
4	A₁	1298	1249
5	A₁	1140	1097
6	A₁	985	948
7	A₁	895	862
8	A₂	841	810
9	A₂	534	514
10	B₁	849	817
11	B₁	758	730
12	B₁	514	495
13	B₂	3221	3101
14	B₂	1512	1455
15	B₂	1276	1228
16	B₂	1171	1128
17	B₂	989	952
18	B₂	760	731

Atom	y (Å)	z (Å)
C1	0.000	1.107
N2	1.181	0.376
N3	-1.181	0.376
C4	0.743	-0.885
C5	-0.743	-0.885
H6	0.000	2.200
H7	1.417	-1.746
H8	-1.417	-1.746

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3890	1.3890	2.1260	2.1260	1.0925	3.1857	3.1857
N2	1.3890		2.3615	1.3342	2.2999	2.1729	2.1346	3.3543
N3	1.3890	2.3615		2.2999	1.3342	2.1729	3.3543	2.1346
C4	2.1260	1.3342	2.2999		1.4862	3.1727	1.0937	2.3258
C5	2.1260	2.2999	1.3342	1.4862		3.1727	2.3258	1.0937
H6	1.0925	2.1729	2.1729	3.1727	3.1727		4.1924	4.1924
H7	3.1857	2.1346	3.3543	1.0937	2.3258	4.1924		2.8349
H8	3.1857	3.3543	2.1346	2.3258	1.0937	4.1924	2.8349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.630	C1	N3	C5	102.630
N2	C1	N3	116.438	N2	C1	H6	121.781
N2	C4	C5	109.151	N2	C4	H7	122.782
N3	C1	H6	121.781	N3	C5	C4	109.151
N3	C5	H8	122.782	C4	C5	H8	128.067
C5	C4	H7	128.067

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

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

States and conformations

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