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	hartrees
Energy at 0K	-192.877515
Energy at 298.15K	-192.882325
HF Energy	-192.208185
Nuclear repulsion energy	148.832641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3333	3141	0.43
2	A₁	3323	3131	8.56
3	A₁	3296	3106	0.92
4	A₁	1626	1532	1.06
5	A₁	1518	1430	3.50
6	A₁	1181	1113	0.77
7	A₁	1123	1058	11.87
8	A₁	1067	1005	8.31
9	A₁	860	811	0.24
10	A₂	860	811	0.00
11	A₂	814	767	0.00
12	A₂	507	478	0.00
13	B₁	869	819	9.94
14	B₁	721	680	15.38
15	B₁	684	644	124.00
16	B₁	489	460	9.37
17	B₂	6938	6537	152903.50
18	B₂	3304	3113	78.42
19	B₂	3295	3104	26.24
20	B₂	1421	1339	67.04
21	B₂	1339	1262	0.18
22	B₂	1195	1126	8.52
23	B₂	976	920	2.52
24	B₂	873	823	17.06

Atom	y (Å)	z (Å)
C1	0.000	1.222
C2	1.123	0.395
C3	0.681	-1.006
C4	-0.681	-1.006
C5	-1.123	0.395
H6	0.000	2.299
H7	2.153	0.719
H8	1.336	-1.864
H9	-1.336	-1.864
H10	-2.153	0.719

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3943	2.3295	2.3295	1.3943	1.0776	2.2111	3.3620	3.3620	2.2111
C2	1.3943		1.4687	2.2840	2.2454	2.2108	1.0801	2.2685	3.3382	3.2918
C3	2.3295	1.4687		1.3626	2.2840	3.3748	2.2674	1.0787	2.1916	3.3180
C4	2.3295	2.2840	1.3626		1.4687	3.3748	3.3180	2.1916	1.0787	2.2674
C5	1.3943	2.2454	2.2840	1.4687		2.2108	3.2918	3.3382	2.2685	1.0801
H6	1.0776	2.2108	3.3748	3.3748	2.2108		2.6709	4.3720	4.3720	2.6709
H7	2.2111	1.0801	2.2674	3.3180	3.2918	2.6709		2.7089	4.3405	4.3062
H8	3.3620	2.2685	1.0787	2.1916	3.3382	4.3720	2.7089		2.6710	4.3405
H9	3.3620	3.3382	2.1916	1.0787	2.2685	4.3720	4.3405	2.6710		2.7089
H10	2.2111	3.2918	3.3180	2.2674	1.0801	2.6709	4.3062	4.3405	2.7089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.880	C1	C2	H7	126.174
C1	C5	C4	108.880	C1	C5	H10	126.174
C2	C1	C5	107.258	C2	C1	H6	126.371
C2	C3	C4	107.491	C2	C3	H8	125.175
C3	C2	H7	124.946	C3	C4	C5	107.491
C3	C4	H9	127.334	C4	C3	H8	127.334
C4	C5	H10	124.946	C5	C1	H6	126.371
C5	C4	H9	125.175

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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