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	hartrees
Energy at 0K	-224.977410
Energy at 298.15K	-224.981807
HF Energy	-224.251956
Nuclear repulsion energy	153.800472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3132	0.38
2	A₁	3265	3119	19.33
3	A₁	1526	1458	44.45
4	A₁	1375	1314	70.08
5	A₁	1199	1145	44.32
6	A₁	1041	994	8.82
7	A₁	944	902	2.45
8	A₂	969	926	0.00
9	A₂	596	570	0.00
10	B₁	925	883	2.42
11	B₁	857	819	15.12
12	B₁	546	522	38.05
13	B₂	3250	3104	0.19
14	B₂	1646	1572	43.72
15	B₂	1315	1256	0.24
16	B₂	1217	1163	24.77
17	B₂	1004	959	42.55
18	B₂	475	453	0.41

Atom	y (Å)	z (Å)
C1	0.000	1.088
N2	1.164	0.368
N3	-1.164	0.368
C4	0.731	-0.866
C5	-0.731	-0.866
H6	0.000	2.171
H7	1.394	-1.725
H8	-1.394	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3692	1.3692	2.0868	2.0868	1.0830	3.1393	3.1393
N2	1.3692		2.3285	1.3079	2.2617	2.1467	2.1048	3.3050
N3	1.3692	2.3285		2.2617	1.3079	2.1467	3.3050	2.1048
C4	2.0868	1.3079	2.2617		1.4621	3.1243	1.0845	2.2919
C5	2.0868	2.2617	1.3079	1.4621		3.1243	2.2919	1.0845
H6	1.0830	2.1467	2.1467	3.1243	3.1243		4.1377	4.1377
H7	3.1393	2.1048	3.3050	1.0845	2.2919	4.1377		2.7884
H8	3.1393	3.3050	2.1048	2.2919	1.0845	4.1377	2.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.408	C1	N3	C5	102.408
N2	C1	N3	116.498	N2	C1	H6	121.751
N2	C4	C5	109.343	N2	C4	H7	122.961
N3	C1	H6	121.751	N3	C5	C4	109.343
N3	C5	H8	122.961	C4	C5	H8	127.696
C5	C4	H7	127.696

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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