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	hartrees
Energy at 0K	-224.940664
Energy at 298.15K	-224.945051
HF Energy	-224.214693
Nuclear repulsion energy	153.959556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3359	3129	0.04
2	A₁	3345	3116	15.07
3	A₁	1538	1433	41.07
4	A₁	1399	1304	88.74
5	A₁	1219	1136	44.41
6	A₁	1064	991	11.43
7	A₁	954	889	1.38
8	A₂	944	880	0.00
9	A₂	590	550	0.00
10	B₁	935	871	2.19
11	B₁	861	802	19.90
12	B₁	548	510	41.06
13	B₂	3329	3101	0.02
14	B₂	1666	1552	55.61
15	B₂	1345	1253	0.16
16	B₂	1237	1152	31.67
17	B₂	1015	946	39.08
18	B₂	466	434	0.13

Atom	y (Å)	z (Å)
C1	0.000	1.090
N2	1.162	0.368
N3	-1.162	0.368
C4	0.727	-0.868
C5	-0.727	-0.868
H6	0.000	2.166
H7	1.385	-1.721
H8	-1.385	-1.721

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3682	1.3682	2.0890	2.0890	1.0760	3.1341	3.1341
N2	1.3682		2.3244	1.3109	2.2578	2.1409	2.1013	3.2946
N3	1.3682	2.3244		2.2578	1.3109	2.1409	3.2946	2.1013
C4	2.0890	1.3109	2.2578		1.4539	3.1203	1.0774	2.2778
C5	2.0890	2.2578	1.3109	1.4539		3.1203	2.2778	1.0774
H6	1.0760	2.1409	2.1409	3.1203	3.1203		4.1268	4.1268
H7	3.1341	2.1013	3.2946	1.0774	2.2778	4.1268		2.7701
H8	3.1341	3.2946	2.1013	2.2778	1.0774	4.1268	2.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.455	C1	N3	C5	102.455
N2	C1	N3	116.305	N2	C1	H6	121.847
N2	C4	C5	109.392	N2	C4	H7	122.956
N3	C1	H6	121.847	N3	C5	C4	109.392
N3	C5	H8	122.956	C4	C5	H8	127.652
C5	C4	H7	127.652

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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