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	hartrees
Energy at 0K	-223.357623
Energy at 298.15K
HF Energy	-222.911332
Nuclear repulsion energy	151.529959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3164	0.04
2	A₁	3306	3134	9.94
3	A₁	1496	1418	102.06
4	A₁	1352	1282	27.39
5	A₁	1076	1020	58.98
6	A₁	967	917	25.31
7	A₁	890	844	18.13
8	A₂	1056	1001	0.00
9	A₂	655	621	0.00
10	B₁	954	904	23.69
11	B₁	866	821	2.90
12	B₁	553	525	52.46
13	B₂	3287	3116	1.05
14	B₂	1565	1484	9.95
15	B₂	1319	1251	1.15
16	B₂	1215	1152	29.03
17	B₂	988	936	50.83
18	B₂	907i	859i	4.22

Atom	y (Å)	z (Å)
C1	0.000	1.132
N2	1.185	0.360
N3	-1.185	0.360
C4	0.733	-0.879
C5	-0.733	-0.879
H6	0.000	2.208
H7	1.383	-1.740
H8	-1.383	-1.740

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4140	1.4140	2.1402	2.1402	1.0762	3.1877	3.1877
N2	1.4140		2.3694	1.3189	2.2829	2.1953	2.1095	3.3172
N3	1.4140	2.3694		2.2829	1.3189	2.1953	3.3172	2.1095
C4	2.1402	1.3189	2.2829		1.4653	3.1729	1.0791	2.2842
C5	2.1402	2.2829	1.3189	1.4653		3.1729	2.2842	1.0791
H6	1.0762	2.1953	2.1953	3.1729	3.1729		4.1835	4.1835
H7	3.1877	2.1095	3.3172	1.0791	2.2842	4.1835		2.7661
H8	3.1877	3.3172	2.1095	2.2842	1.0791	4.1835	2.7661

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.043	C1	N3	C5	103.043
N2	C1	N3	113.826	N2	C1	H6	123.087
N2	C4	C5	110.044	N2	C4	H7	122.893
N3	C1	H6	123.087	N3	C5	C4	110.044
N3	C5	H8	122.893	C4	C5	H8	127.063
C5	C4	H7	127.063

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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