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	hartrees
Energy at 0K	-225.103273
Energy at 298.15K
HF Energy	-224.285087
Nuclear repulsion energy	154.531474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3133	1.70
2	A₁	3282	3123	15.70
3	A₁	1465	1394	48.18
4	A₁	1406	1338	69.51
5	A₁	1237	1177	65.01
6	A₁	1072	1020	15.09
7	A₁	938	893	1.35
8	A₂	1038	987	0.00
9	A₂	609	579	0.00
10	B₁	994	945	1.86
11	B₁	899	856	14.97
12	B₁	529	504	39.32
13	B₂	3265	3107	0.45
14	B₂	1663	1582	69.67
15	B₂	1316	1252	0.24
16	B₂	1223	1164	38.67
17	B₂	996	947	48.48
18	B₂	224i	213i	0.53

Atom	y (Å)	z (Å)
C1	0.000	1.075
N2	1.160	0.367
N3	-1.160	0.367
C4	0.723	-0.860
C5	-0.723	-0.860
H6	0.000	2.153
H7	1.382	-1.714
H8	-1.382	-1.714

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3591	1.3591	2.0655	2.0655	1.0776	3.1128	3.1128
N2	1.3591		2.3209	1.3027	2.2483	2.1291	2.0936	3.2859
N3	1.3591	2.3209		2.2483	1.3027	2.1291	3.2859	2.0936
C4	2.0655	1.3027	2.2483		1.4468	3.0980	1.0788	2.2720
C5	2.0655	2.2483	1.3027	1.4468		3.0980	2.2720	1.0788
H6	1.0776	2.1291	2.1291	3.0980	3.0980		4.1064	4.1064
H7	3.1128	2.0936	3.2859	1.0788	2.2720	4.1064		2.7635
H8	3.1128	3.2859	2.0936	2.2720	1.0788	4.1064	2.7635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.765	C1	N3	C5	101.765
N2	C1	N3	117.264	N2	C1	H6	121.368
N2	C4	C5	109.604	N2	C4	H7	122.787
N3	C1	H6	121.368	N3	C5	C4	109.604
N3	C5	H8	122.787	C4	C5	H8	127.609
C5	C4	H7	127.609

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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