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	hartrees
Energy at 0K	-224.951890
Energy at 298.15K	-224.956234
HF Energy	-224.219427
Nuclear repulsion energy	152.474059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3260	3152
2	A₁	3245	3138
3	A₁	1490	1441
4	A₁	1361	1316
5	A₁	1181	1142
6	A₁	1025	991
7	A₁	920	890
8	A₂	968	936
9	A₂	587	568
10	B₁	924	893
11	B₁	856	828
12	B₁	535	517
13	B₂	3230	3123
14	B₂	1626	1572
15	B₂	1289	1247
16	B₂	1198	1159
17	B₂	979	946
18	B₂	455	440

Atom	y (Å)	z (Å)
C1	0.000	1.093
N2	1.179	0.373
N3	-1.179	0.373
C4	0.732	-0.873
C5	-0.732	-0.873
H6	0.000	2.188
H7	1.402	-1.741
H8	-1.402	-1.741

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3812	1.3812	2.0978	2.0978	1.0949	3.1617	3.1617
N2	1.3812		2.3574	1.3234	2.2811	2.1641	2.1255	3.3359
N3	1.3812	2.3574		2.2811	1.3234	2.1641	3.3359	2.1255
C4	2.0978	1.3234	2.2811		1.4644	3.1471	1.0963	2.3039
C5	2.0978	2.2811	1.3234	1.4644		3.1471	2.3039	1.0963
H6	1.0949	2.1641	2.1641	3.1471	3.1471		4.1713	4.1713
H7	3.1617	2.1255	3.3359	1.0963	2.3039	4.1713		2.8040
H8	3.1617	3.3359	2.1255	2.3039	1.0963	4.1713	2.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.703	C1	N3	C5	101.703
N2	C1	N3	117.158	N2	C1	H6	121.421
N2	C4	C5	109.718	N2	C4	H7	122.622
N3	C1	H6	121.421	N3	C5	C4	109.718
N3	C5	H8	122.622	C4	C5	H8	127.660
C5	C4	H7	127.660

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

using model chemistry: MP4/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: MP4/cc-pVDZ

States and conformations

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