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	hartrees
Energy at 0K	-221.609100
Energy at 298.15K
HF Energy	-221.378744
Nuclear repulsion energy	149.863392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3550	3095	0.07
2	A₁	3544	3090	20.14
3	A₁	1662	1449	35.86
4	A₁	1347	1174	35.26
5	A₁	1118	975	32.79
6	A₁	968	844	36.87
7	A₁	925	806	8.19
8	A₂	1075	937	0.00
9	A₂	660	576	0.00
10	B₁	997	870	4.13
11	B₁	741	646	0.02
12	B₁	563	491	22.43
13	B₂	3534	3081	0.95
14	B₂	1650	1438	2.33
15	B₂	1338	1167	0.53
16	B₂	1201	1047	1.88
17	B₂	1022	891	22.49
18	B₂	517i	450i	4.39

Atom	y (Å)	z (Å)
C1	0.000	1.126
N2	1.216	0.358
N3	-1.216	0.358
C4	0.748	-0.873
C5	-0.748	-0.873
H6	0.000	2.229
H7	1.396	-1.764
H8	-1.396	-1.764

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4384	1.4384	2.1338	2.1338	1.1032	3.2098	3.2098
N2	1.4384		2.4328	1.3168	2.3181	2.2316	2.1300	3.3661
N3	1.4384	2.4328		2.3181	1.3168	2.2316	3.3661	2.1300
C4	2.1338	1.3168	2.3181		1.4960	3.1905	1.1025	2.3223
C5	2.1338	2.3181	1.3168	1.4960		3.1905	2.3223	1.1025
H6	1.1032	2.2316	2.2316	3.1905	3.1905		4.2304	4.2304
H7	3.2098	2.1300	3.3661	1.1025	2.3223	4.2304		2.7925
H8	3.2098	3.3661	2.1300	2.3223	1.1025	4.2304	2.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.421	C1	N3	C5	101.421
N2	C1	N3	115.484	N2	C1	H6	122.258
N2	C4	C5	110.837	N2	C4	H7	123.150
N3	C1	H6	122.258	N3	C5	C4	110.837
N3	C5	H8	123.150	C4	C5	H8	126.013
C5	C4	H7	126.013

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

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

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