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	hartrees
Energy at 0K	-192.947895
Energy at 298.15K	-192.951956
HF Energy	-192.251176
Nuclear repulsion energy	148.751405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3140	0.00
2	A₁	3281	3132	10.08
3	A₁	3252	3104	0.83
4	A₁	1604	1531	0.13
5	A₁	1480	1413	1.20
6	A₁	1158	1106	0.00
7	A₁	1100	1050	8.86
8	A₁	1046	998	6.38
9	A₁	850	812	0.23
10	A₂	766	731	0.00
11	A₂	595	568	0.00
12	A₂	293	279	0.00
13	B₁	703	671	29.63
14	B₁	629	601	91.25
15	B₁	524	500	12.71
16	B₁	281	268	3.09
17	B₂	3271	3122	5.36
18	B₂	3254	3106	0.10
19	B₂	2643	2523	2360.06
20	B₂	1403	1339	68.74
21	B₂	1321	1261	0.00
22	B₂	1168	1115	16.14
23	B₂	969	925	0.95
24	B₂	864	825	7.64

Atom	y (Å)	z (Å)
C1	0.000	1.223
C2	1.125	0.395
C3	0.677	-1.007
C4	-0.677	-1.007
C5	-1.125	0.395
H6	0.000	2.301
H7	2.157	0.717
H8	1.331	-1.866
H9	-1.331	-1.866
H10	-2.157	0.717

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3968	2.3308	2.3308	1.3968	1.0783	2.2154	3.3633	3.3633	2.2154
C2	1.3968		1.4724	2.2840	2.2505	2.2132	1.0806	2.2704	3.3388	3.2978
C3	2.3308	1.4724		1.3548	2.2840	3.3771	2.2721	1.0792	2.1846	3.3176
C4	2.3308	2.2840	1.3548		1.4724	3.3771	3.3176	2.1846	1.0792	2.2721
C5	1.3968	2.2505	2.2840	1.4724		2.2132	3.2978	3.3388	2.2704	1.0806
H6	1.0783	2.2132	3.3771	3.3771	2.2132		2.6760	4.3744	4.3744	2.6760
H7	2.2154	1.0806	2.2721	3.3176	3.2978	2.6760		2.7115	4.3404	4.3137
H8	3.3633	2.2704	1.0792	2.1846	3.3388	4.3744	2.7115		2.6629	4.3404
H9	3.3633	3.3388	2.1846	1.0792	2.2704	4.3744	4.3404	2.6629		2.7115
H10	2.2154	3.2978	3.3176	2.2721	1.0806	2.6760	4.3137	4.3404	2.7115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.624	C1	C2	H7	126.345
C1	C5	C4	108.624	C1	C5	H10	126.345
C2	C1	C5	107.337	C2	C1	H6	126.332
C2	C3	C4	107.708	C2	C3	H8	124.988
C3	C2	H7	125.031	C3	C4	C5	107.708
C3	C4	H9	127.305	C4	C3	H8	127.305
C4	C5	H10	125.031	C5	C1	H6	126.332
C5	C4	H9	124.988

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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