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	hartrees
Energy at 0K	-224.959586
Energy at 298.15K	-224.963980
HF Energy	-224.218190
Nuclear repulsion energy	151.428737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3100
2	A₁	3239	3087
3	A₁	1458	1390
4	A₁	1303	1242
5	A₁	1144	1091
6	A₁	985	939
7	A₁	901	858
8	A₂	855	815
9	A₂	551	525
10	B₁	846	807
11	B₁	756	721
12	B₁	515	491
13	B₂	3225	3074
14	B₂	1530	1458
15	B₂	1283	1223
16	B₂	1181	1125
17	B₂	998	951
18	B₂	785	748

Atom	y (Å)	z (Å)
C1	0.000	1.102
N2	1.183	0.376
N3	-1.183	0.376
C4	0.744	-0.882
C5	-0.744	-0.882
H6	0.000	2.196
H7	1.418	-1.745
H8	-1.418	-1.745

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3880	1.3880	2.1181	2.1181	1.0944	3.1805	3.1805
N2	1.3880		2.3662	1.3319	2.3009	2.1710	2.1339	3.3564
N3	1.3880	2.3662		2.3009	1.3319	2.1710	3.3564	2.1339
C4	2.1181	1.3319	2.3009		1.4876	3.1662	1.0957	2.3281
C5	2.1181	2.3009	1.3319	1.4876		3.1662	2.3281	1.0957
H6	1.0944	2.1710	2.1710	3.1662	3.1662		4.1886	4.1886
H7	3.1805	2.1339	3.3564	1.0957	2.3281	4.1886		2.8364
H8	3.1805	3.3564	2.1339	2.3281	1.0957	4.1886	2.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.271	C1	N3	C5	102.271
N2	C1	N3	116.941	N2	C1	H6	121.529
N2	C4	C5	109.258	N2	C4	H7	122.755
N3	C1	H6	121.529	N3	C5	C4	109.258
N3	C5	H8	122.755	C4	C5	H8	127.987
C5	C4	H7	127.987

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

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

States and conformations

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