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	hartrees
Energy at 0K	-193.231765
Energy at 298.15K
HF Energy	-193.029594
Nuclear repulsion energy	148.744468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3123	0.00
2	A₁	3267	3101	21.64
3	A₁	3252	3087	5.54
4	A₁	1530	1452	14.44
5	A₁	1424	1352	27.02
6	A₁	1167	1108	0.17
7	A₁	1082	1027	0.30
8	A₁	974	924	0.21
9	A₁	850	807	0.51
10	A₂	886	841	0.00
11	A₂	721	684	0.00
12	A₂	519	492	0.00
13	B₁	879	834	4.03
14	B₁	812	771	4.16
15	B₁	694	659	81.27
16	B₁	500	475	11.80
17	B₂	3283	3116	11.91
18	B₂	3255	3090	1.67
19	B₂	1586	1506	0.20
20	B₂	1324	1256	0.03
21	B₂	1238	1175	0.08
22	B₂	1106	1050	13.26
23	B₂	935	888	3.84
24	B₂	433i	411i	2.06

Atom	y (Å)	z (Å)
C1	0.000	1.187
C2	1.169	0.353
C3	0.741	-0.947
C4	-0.741	-0.947
C5	-1.169	0.353
H6	0.000	2.271
H7	2.193	0.702
H8	1.358	-1.837
H9	-1.358	-1.837
H10	-2.193	0.702

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4361	2.2596	2.2596	1.4361	1.0839	2.2459	3.3155	3.3155	2.2459
C2	1.4361		1.3689	2.3108	2.3379	2.2463	1.0818	2.1987	3.3440	3.3798
C3	2.2596	1.3689		1.4825	2.3108	3.3028	2.1972	1.0828	2.2799	3.3659
C4	2.2596	2.3108	1.4825		1.3689	3.3028	3.3659	2.2799	1.0828	2.1972
C5	1.4361	2.3379	2.3108	1.3689		2.2463	3.3798	3.3440	2.1987	1.0818
H6	1.0839	2.2463	3.3028	3.3028	2.2463		2.6964	4.3273	4.3273	2.6964
H7	2.2459	1.0818	2.1972	3.3659	3.3798	2.6964		2.6735	4.3653	4.3856
H8	3.3155	2.1987	1.0828	2.2799	3.3440	4.3273	2.6735		2.7152	4.3653
H9	3.3155	3.3440	2.2799	1.0828	2.1987	4.3273	4.3653	2.7152		2.6735
H10	2.2459	3.3798	3.3659	2.1972	1.0818	2.6964	4.3856	4.3653	2.6735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	107.309	C1	C2	H7	125.661
C1	C5	C4	107.309	C1	C5	H10	125.661
C2	C1	C5	108.971	C2	C1	H6	125.514
C2	C3	C4	108.206	C2	C3	H8	127.096
C3	C2	H7	127.030	C3	C4	C5	108.206
C3	C4	H9	124.698	C4	C3	H8	124.698
C4	C5	H10	127.030	C5	C1	H6	125.514
C5	C4	H9	127.096

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

using model chemistry: B2PLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.134
2	C	-0.189
3	C	-0.152
4	C	-0.152
5	C	-0.189
6	H	0.169
7	H	0.158
8	H	0.165
9	H	0.165
10	H	0.158

<r²>	87.607
(<r²>)^1/2	9.360

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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