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	hartrees
Energy at 0K	-225.044278
Energy at 298.15K	-225.048526
HF Energy	-224.266247
Nuclear repulsion energy	152.499293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3266	3145
2	A₁	3251	3131
3	A₁	1441	1388
4	A₁	1317	1268
5	A₁	1146	1104
6	A₁	988	952
7	A₁	914	880
8	A₂	702	676
9	A₂	522	502
10	B₁	750	722
11	B₁	716	690
12	B₁	484	466
13	B₂	3239	3120
14	B₂	1528	1472
15	B₂	1308	1260
16	B₂	1199	1155
17	B₂	998	961
18	B₂	763	735

Atom	y (Å)	z (Å)
C1	0.000	1.100
N2	1.172	0.372
N3	-1.172	0.372
C4	0.738	-0.877
C5	-0.738	-0.877
H6	0.000	2.181
H7	1.405	-1.730
H8	-1.405	-1.730

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3798	1.3798	2.1107	2.1107	1.0809	3.1594	3.1594
N2	1.3798		2.3445	1.3227	2.2830	2.1553	2.1148	3.3259
N3	1.3798	2.3445		2.2830	1.3227	2.1553	3.3259	2.1148
C4	2.1107	1.3227	2.2830		1.4770	3.1461	1.0822	2.3069
C5	2.1107	2.2830	1.3227	1.4770		3.1461	2.3069	1.0822
H6	1.0809	2.1553	2.1553	3.1461	3.1461		4.1554	4.1554
H7	3.1594	2.1148	3.3259	1.0822	2.3069	4.1554		2.8104
H8	3.1594	3.3259	2.1148	2.3069	1.0822	4.1554	2.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.689	C1	N3	C5	102.689
N2	C1	N3	116.335	N2	C1	H6	121.832
N2	C4	C5	109.143	N2	C4	H7	122.825
N3	C1	H6	121.832	N3	C5	C4	109.143
N3	C5	H8	122.825	C4	C5	H8	128.032
C5	C4	H7	128.032

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

using model chemistry: QCISD(T)/TZVP

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: QCISD(T)/TZVP

States and conformations

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