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	hartrees
Energy at 0K	-194.733405
Energy at 298.15K	-194.740644
HF Energy	-194.733405
Nuclear repulsion energy	163.322343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3114	8.55
2	A₁	3164	3059	13.71
3	A₁	3007	2907	41.50
4	A₁	1495	1445	3.45
5	A₁	1481	1432	2.73
6	A₁	1278	1235	0.67
7	A₁	1102	1065	3.95
8	A₁	1032	998	0.01
9	A₁	909	879	3.64
10	A₁	814	787	0.21
11	A₂	3004	2905	0.00
12	A₂	1226	1185	0.00
13	A₂	992	959	0.00
14	A₂	615	595	0.00
15	A₂	119	115	0.00
16	B₁	3027	2926	54.73
17	B₁	1141	1103	2.79
18	B₁	957	925	5.19
19	B₁	807	780	2.34
20	B₁	601	581	61.07
21	B₁	429	415	8.06
22	B₂	3211	3104	10.76
23	B₂	2994	2894	38.78
24	B₂	1470	1421	1.22
25	B₂	1424	1376	3.85
26	B₂	1310	1267	0.35
27	B₂	1303	1260	8.76
28	B₂	1081	1045	1.54
29	B₂	910	880	16.25
30	B₂	726	702	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.267
C2	0.000	1.147	0.506
C3	0.000	-1.147	0.506
C4	0.000	0.774	-0.963
C5	0.000	-0.774	-0.963
H6	0.000	0.000	2.352
H7	0.000	2.205	0.727
H8	0.000	-2.205	0.727
H9	0.875	1.188	-1.480
H10	-0.875	1.188	-1.480
H11	0.875	-1.188	-1.480
H12	-0.875	-1.188	-1.480

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3761	1.3761	2.3604	2.3604	1.0853	2.2700	2.2700	3.1179	3.1179	3.1179	3.1179
C2	1.3761		2.2934	1.5157	2.4183	2.1731	1.0810	3.3588	2.1706	2.1706	3.1875	3.1875
C3	1.3761	2.2934		2.4183	1.5157	2.1731	3.3588	1.0810	3.1875	3.1875	2.1706	2.1706
C4	2.3604	1.5157	2.4183		1.5483	3.4043	2.2144	3.4250	1.0973	1.0973	2.2096	2.2096
C5	2.3604	2.4183	1.5157	1.5483		3.4043	3.4250	2.2144	2.2096	2.2096	1.0973	1.0973
H6	1.0853	2.1731	2.1731	3.4043	3.4043		2.7390	2.7390	4.1061	4.1061	4.1061	4.1061
H7	2.2700	1.0810	3.3588	2.2144	3.4250	2.7390		4.4098	2.5827	2.5827	4.1409	4.1409
H8	2.2700	3.3588	1.0810	3.4250	2.2144	2.7390	4.4098		4.1409	4.1409	2.5827	2.5827
H9	3.1179	2.1706	3.1875	1.0973	2.2096	4.1061	2.5827	4.1409		1.7501	2.3758	2.9508
H10	3.1179	2.1706	3.1875	1.0973	2.2096	4.1061	2.5827	4.1409	1.7501		2.9508	2.3758
H11	3.1179	3.1875	2.1706	2.2096	1.0973	4.1061	4.1409	2.5827	2.3758	2.9508		1.7501
H12	3.1179	3.1875	2.1706	2.2096	1.0973	4.1061	4.1409	2.5827	2.9508	2.3758	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.329	C1	C2	H7	134.652
C1	C3	C5	109.329	C1	C3	H8	134.652
C2	C1	C3	112.883	C2	C1	H6	123.558
C2	C4	C5	104.229	C2	C4	H9	111.335
C2	C4	H10	111.335	C3	C1	H6	123.558
C3	C5	C4	104.229	C3	C5	H11	111.335
C3	C5	H12	111.335	C4	C2	H7	116.018
C4	C5	H11	112.154	C4	C5	H12	112.154
C5	C3	H8	116.018	C5	C4	H9	112.154
C5	C4	H10	112.154	H9	C4	H10	105.783
H11	C5	H12	105.783

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

using model chemistry: B3LYP/6-311G**

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	-0.069
2	C	-0.141
3	C	-0.141
4	C	-0.212
5	C	-0.212
6	H	0.092
7	H	0.101
8	H	0.101
9	H	0.120
10	H	0.120
11	H	0.120
12	H	0.120

<r²>	99.824
(<r²>)^1/2	9.991

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

using model chemistry: B3LYP/6-311G**

States and conformations

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