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	hartrees
Energy at 0K	-224.899374
Energy at 298.15K	-224.903791
HF Energy	-224.201215
Nuclear repulsion energy	152.553592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3123	3.77
2	A₁	3267	3111	10.25
3	A₁	1495	1424	15.40
4	A₁	1341	1277	50.00
5	A₁	1166	1111	25.52
6	A₁	1021	972	2.39
7	A₁	924	880	3.74
8	A₂	850	810	0.00
9	A₂	564	537	0.00
10	B₁	843	803	1.13
11	B₁	764	727	22.43
12	B₁	527	502	33.45
13	B₂	3254	3099	1.86
14	B₂	1564	1489	12.28
15	B₂	1320	1257	0.00
16	B₂	1209	1151	6.97
17	B₂	1018	969	59.68
18	B₂	804	766	0.10

Atom	y (Å)	z (Å)
C1	0.000	1.099
N2	1.171	0.372
N3	-1.171	0.372
C4	0.738	-0.877
C5	-0.738	-0.877
H6	0.000	2.184
H7	1.406	-1.733
H8	-1.406	-1.733

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3786	1.3786	2.1090	2.1090	1.0850	3.1616	3.1616
N2	1.3786		2.3425	1.3219	2.2812	2.1576	2.1176	3.3277
N3	1.3786	2.3425		2.2812	1.3219	2.1576	3.3277	2.1176
C4	2.1090	1.3219	2.2812		1.4755	3.1484	1.0860	2.3086
C5	2.1090	2.2812	1.3219	1.4755		3.1484	2.3086	1.0860
H6	1.0850	2.1576	2.1576	3.1484	3.1484		4.1614	4.1614
H7	3.1616	2.1176	3.3277	1.0860	2.3086	4.1614		2.8127
H8	3.1616	3.3277	2.1176	2.3086	1.0860	4.1614	2.8127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.684	C1	N3	C5	102.684
N2	C1	N3	116.342	N2	C1	H6	121.829
N2	C4	C5	109.145	N2	C4	H7	122.855
N3	C1	H6	121.829	N3	C5	C4	109.145
N3	C5	H8	122.855	C4	C5	H8	128.000
C5	C4	H7	128.000

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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