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	hartrees
Energy at 0K	-191.559733
Energy at 298.15K	-191.564539
HF Energy	-191.114608
Nuclear repulsion energy	147.201618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3113	0.17
2	A₁	3240	3099	9.73
3	A₁	3214	3074	0.99
4	A₁	1562	1494	0.13
5	A₁	1439	1376	0.31
6	A₁	1171	1120	0.00
7	A₁	1102	1055	11.11
8	A₁	995	951	4.16
9	A₁	887	848	0.15
10	A₂	869	831	0.00
11	A₂	787	752	0.00
12	A₂	530	507	0.00
13	B₁	885	847	11.47
14	B₁	716	685	0.52
15	B₁	674	645	120.72
16	B₁	517	494	10.11
17	B₂	3703	3542	9086.21
18	B₂	3216	3076	138.10
19	B₂	3210	3070	109.88
20	B₂	1392	1331	81.82
21	B₂	1340	1281	1.11
22	B₂	1196	1144	6.54
23	B₂	937	896	0.13
24	B₂	859	822	4.08

Atom	y (Å)	z (Å)
C1	0.000	1.231
C2	1.138	0.406
C3	0.684	-1.023
C4	-0.684	-1.023
C5	-1.138	0.406
H6	0.000	2.314
H7	2.173	0.731
H8	1.345	-1.882
H9	-1.345	-1.882
H10	-2.173	0.731

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4050	2.3551	2.3551	1.4050	1.0832	2.2300	3.3911	3.3911	2.2300
C2	1.4050		1.4995	2.3157	2.2756	2.2210	1.0854	2.2982	3.3768	3.3271
C3	2.3551	1.4995		1.3684	2.3157	3.4061	2.3011	1.0841	2.2037	3.3531
C4	2.3551	2.3157	1.3684		1.4995	3.4061	3.3531	2.2037	1.0841	2.3011
C5	1.4050	2.2756	2.3157	1.4995		2.2210	3.3271	3.3768	2.2982	1.0854
H6	1.0832	2.2210	3.4061	3.4061	2.2210		2.6884	4.4064	4.4064	2.6884
H7	2.2300	1.0854	2.3011	3.3531	3.3271	2.6884		2.7420	4.3830	4.3467
H8	3.3911	2.2982	1.0841	2.2037	3.3768	4.4064	2.7420		2.6898	4.3830
H9	3.3911	3.3768	2.2037	1.0841	2.2982	4.4064	4.3830	2.6898		2.7420
H10	2.2300	3.3271	3.3531	2.3011	1.0854	2.6884	4.3467	4.3830	2.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.312	C1	C2	H7	126.657
C1	C5	C4	108.312	C1	C5	H10	126.657
C2	C1	C5	108.162	C2	C1	H6	125.919
C2	C3	C4	107.607	C2	C3	H8	124.846
C3	C2	H7	125.032	C3	C4	C5	107.607
C3	C4	H9	127.546	C4	C3	H8	127.546
C4	C5	H10	125.032	C5	C1	H6	125.919
C5	C4	H9	124.846

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)

using model chemistry: CCD/3-21G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

	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 C5H5 (cyclopentadienyl radical)

using model chemistry: CCD/3-21G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)