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	hartrees
Energy at 0K	-194.589559
Energy at 298.15K	-194.596750
HF Energy	-194.589559
Nuclear repulsion energy	163.925867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3268	3126	8.48
2	A₁	3216	3076	10.64
3	A₁	3051	2918	36.24
4	A₁	1513	1447	0.02
5	A₁	1489	1424	7.70
6	A₁	1299	1243	0.95
7	A₁	1114	1065	4.16
8	A₁	1056	1010	0.00
9	A₁	933	893	4.59
10	A₁	808	773	0.27
11	A₂	3061	2928	0.00
12	A₂	1225	1172	0.00
13	A₂	986	943	0.00
14	A₂	622	595	0.00
15	A₂	93	89	0.00
16	B₁	3081	2947	36.26
17	B₁	1142	1093	3.44
18	B₁	959	917	4.94
19	B₁	808	773	3.58
20	B₁	605	579	76.47
21	B₁	424	406	9.13
22	B₂	3258	3117	8.81
23	B₂	3037	2905	35.59
24	B₂	1474	1410	1.09
25	B₂	1443	1381	2.71
26	B₂	1332	1274	7.14
27	B₂	1303	1246	3.90
28	B₂	1089	1042	1.78
29	B₂	930	889	21.04
30	B₂	720	688	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.264
C2	0.000	1.143	0.501
C3	0.000	-1.143	0.501
C4	0.000	0.768	-0.958
C5	0.000	-0.768	-0.958
H6	0.000	0.000	2.349
H7	0.000	2.202	0.721
H8	0.000	-2.202	0.721
H9	0.874	1.183	-1.474
H10	-0.874	1.183	-1.474
H11	0.874	-1.183	-1.474
H12	-0.874	-1.183	-1.474

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3742	1.3742	2.3509	2.3509	1.0850	2.2678	2.2678	3.1083	3.1083	3.1083	3.1083
C2	1.3742		2.2860	1.5062	2.4044	2.1728	1.0813	3.3520	2.1606	2.1606	3.1740	3.1740
C3	1.3742	2.2860		2.4044	1.5062	2.1728	3.3520	1.0813	3.1740	3.1740	2.1606	2.1606
C4	2.3509	1.5062	2.4044		1.5365	3.3949	2.2073	3.4115	1.0965	1.0965	2.1991	2.1991
C5	2.3509	2.4044	1.5062	1.5365		3.3949	3.4115	2.2073	2.1991	2.1991	1.0965	1.0965
H6	1.0850	2.1728	2.1728	3.3949	3.3949		2.7385	2.7385	4.0965	4.0965	4.0965	4.0965
H7	2.2678	1.0813	3.3520	2.2073	3.4115	2.7385		4.4035	2.5732	2.5732	4.1274	4.1274
H8	2.2678	3.3520	1.0813	3.4115	2.2073	2.7385	4.4035		4.1274	4.1274	2.5732	2.5732
H9	3.1083	2.1606	3.1740	1.0965	2.1991	4.0965	2.5732	4.1274		1.7477	2.3650	2.9407
H10	3.1083	2.1606	3.1740	1.0965	2.1991	4.0965	2.5732	4.1274	1.7477		2.9407	2.3650
H11	3.1083	3.1740	2.1606	2.1991	1.0965	4.0965	4.1274	2.5732	2.3650	2.9407		1.7477
H12	3.1083	3.1740	2.1606	2.1991	1.0965	4.0965	4.1274	2.5732	2.9407	2.3650	1.7477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.318	C1	C2	H7	134.559
C1	C3	C5	109.318	C1	C3	H8	134.559
C2	C1	C3	112.554	C2	C1	H6	123.723
C2	C4	C5	104.405	C2	C4	H9	111.251
C2	C4	H10	111.251	C3	C1	H6	123.723
C3	C5	C4	104.405	C3	C5	H11	111.251
C3	C5	H12	111.251	C4	C2	H7	116.122
C4	C5	H11	112.197	C4	C5	H12	112.197
C5	C3	H8	116.122	C5	C4	H9	112.197
C5	C4	H10	112.197	H9	C4	H10	105.687
H11	C5	H12	105.687

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

using model chemistry: B1B95/6-31+G**

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	-0.115
2	C	-0.084
3	C	-0.084
4	C	-0.415
5	C	-0.415
6	H	0.145
7	H	0.152
8	H	0.152
9	H	0.166
10	H	0.166
11	H	0.166
12	H	0.166

<r²>	99.169
(<r²>)^1/2	9.958

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

using model chemistry: B1B95/6-31+G**

States and conformations

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