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	hartrees
Energy at 0K	-194.419644
Energy at 298.15K	-194.426742
HF Energy	-194.419644
Nuclear repulsion energy	162.617483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3135	6.85
2	A₁	3119	3076	14.30
3	A₁	2956	2916	33.91
4	A₁	1464	1444	0.01
5	A₁	1443	1423	5.36
6	A₁	1246	1229	0.41
7	A₁	1080	1065	3.07
8	A₁	1023	1009	0.01
9	A₁	902	890	4.07
10	A₁	788	777	0.33
11	A₂	2964	2924	0.00
12	A₂	1184	1168	0.00
13	A₂	952	939	0.00
14	A₂	584	576	0.00
15	A₂	120	118	0.00
16	B₁	2983	2942	42.60
17	B₁	1105	1090	1.57
18	B₁	919	906	3.70
19	B₁	782	771	0.63
20	B₁	587	579	46.83
21	B₁	413	407	9.42
22	B₂	3170	3126	9.98
23	B₂	2944	2903	35.78
24	B₂	1441	1421	0.00
25	B₂	1408	1389	2.66
26	B₂	1286	1269	4.73
27	B₂	1257	1240	3.56
28	B₂	1065	1050	1.06
29	B₂	905	893	14.55
30	B₂	703	694	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.272
C2	0.000	1.153	0.505
C3	0.000	-1.153	0.505
C4	0.000	0.775	-0.963
C5	0.000	-0.775	-0.963
H6	0.000	0.000	2.368
H7	0.000	2.222	0.722
H8	0.000	-2.222	0.722
H9	0.881	1.194	-1.488
H10	-0.881	1.194	-1.488
H11	0.881	-1.194	-1.488
H12	-0.881	-1.194	-1.488

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3847	1.3847	2.3661	2.3661	1.0953	2.2894	2.2894	3.1341	3.1341	3.1341	3.1341
C2	1.3847		2.3059	1.5164	2.4237	2.1903	1.0908	3.3820	2.1799	2.1799	3.2030	3.2030
C3	1.3847	2.3059		2.4237	1.5164	2.1903	3.3820	1.0908	3.2030	3.2030	2.1799	2.1799
C4	2.3661	1.5164	2.4237		1.5504	3.4199	2.2208	3.4383	1.1075	1.1075	2.2202	2.2202
C5	2.3661	2.4237	1.5164	1.5504		3.4199	3.4383	2.2208	2.2202	2.2202	1.1075	1.1075
H6	1.0953	2.1903	2.1903	3.4199	3.4199		2.7654	2.7654	4.1316	4.1316	4.1316	4.1316
H7	2.2894	1.0908	3.3820	2.2208	3.4383	2.7654		4.4442	2.5915	2.5915	4.1629	4.1629
H8	2.2894	3.3820	1.0908	3.4383	2.2208	2.7654	4.4442		4.1629	4.1629	2.5915	2.5915
H9	3.1341	2.1799	3.2030	1.1075	2.2202	4.1316	2.5915	4.1629		1.7610	2.3882	2.9673
H10	3.1341	2.1799	3.2030	1.1075	2.2202	4.1316	2.5915	4.1629	1.7610		2.9673	2.3882
H11	3.1341	3.2030	2.1799	2.2202	1.1075	4.1316	4.1629	2.5915	2.3882	2.9673		1.7610
H12	3.1341	3.2030	2.1799	2.2202	1.1075	4.1316	4.1629	2.5915	2.9673	2.3882	1.7610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.207	C1	C2	H7	134.940
C1	C3	C5	109.207	C1	C3	H8	134.940
C2	C1	C3	112.737	C2	C1	H6	123.632
C2	C4	C5	104.425	C2	C4	H9	111.408
C2	C4	H10	111.408	C3	C1	H6	123.632
C3	C5	C4	104.425	C3	C5	H11	111.408
C3	C5	H12	111.408	C4	C2	H7	115.853
C4	C5	H11	112.224	C4	C5	H12	112.224
C5	C3	H8	115.853	C5	C4	H9	112.224
C5	C4	H10	112.224	H9	C4	H10	105.318
H11	C5	H12	105.318

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: PBEPBE/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	-0.052
2	C	-0.110
3	C	-0.110
4	C	-0.260
5	C	-0.260
6	H	0.090
7	H	0.100
8	H	0.100
9	H	0.125
10	H	0.125
11	H	0.125
12	H	0.125

<r²>	100.064
(<r²>)^1/2	10.003

All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)