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	hartrees
Energy at 0K	-192.510439
Energy at 298.15K	-192.517636
HF Energy	-192.510439
Nuclear repulsion energy	163.197668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3134	3.25
2	A₁	3136	3080	4.34
3	A₁	2968	2914	11.17
4	A₁	1480	1453	12.20
5	A₁	1452	1426	5.78
6	A₁	1234	1212	3.95
7	A₁	1097	1077	4.56
8	A₁	1041	1023	0.18
9	A₁	915	898	7.54
10	A₁	824	810	0.18
11	A₂	2980	2926	0.00
12	A₂	1209	1187	0.00
13	A₂	960	943	0.00
14	A₂	610	599	0.00
15	A₂	119	117	0.00
16	B₁	3000	2946	16.54
17	B₁	1148	1127	0.78
18	B₁	939	922	5.73
19	B₁	789	775	0.61
20	B₁	593	583	82.47
21	B₁	432	425	13.95
22	B₂	3180	3122	0.79
23	B₂	2955	2902	18.73
24	B₂	1462	1435	0.65
25	B₂	1424	1399	12.10
26	B₂	1301	1278	0.03
27	B₂	1271	1248	18.91
28	B₂	1091	1071	0.68
29	B₂	916	900	21.12
30	B₂	739	726	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.265
C2	0.000	1.148	0.503
C3	0.000	-1.148	0.503
C4	0.000	0.773	-0.960
C5	0.000	-0.773	-0.960
H6	0.000	0.000	2.358
H7	0.000	2.215	0.725
H8	0.000	-2.215	0.725
H9	0.889	1.185	-1.479
H10	-0.889	1.185	-1.479
H11	0.889	-1.185	-1.479
H12	-0.889	-1.185	-1.479

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3771	1.3771	2.3551	2.3551	1.0937	2.2794	2.2794	3.1183	3.1183	3.1183	3.1183
C2	1.3771		2.2952	1.5104	2.4147	2.1813	1.0900	3.3696	2.1731	2.1731	3.1880	3.1880
C3	1.3771	2.2952		2.4147	1.5104	2.1813	3.3696	1.0900	3.1880	3.1880	2.1731	2.1731
C4	2.3551	1.5104	2.4147		1.5464	3.4072	2.2177	3.4304	1.1088	1.1088	2.2126	2.2126
C5	2.3551	2.4147	1.5104	1.5464		3.4072	3.4304	2.2177	2.2126	2.2126	1.1088	1.1088
H6	1.0937	2.1813	2.1813	3.4072	3.4072		2.7516	2.7516	4.1137	4.1137	4.1137	4.1137
H7	2.2794	1.0900	3.3696	2.2177	3.4304	2.7516		4.4294	2.5904	2.5904	4.1485	4.1485
H8	2.2794	3.3696	1.0900	3.4304	2.2177	2.7516	4.4294		4.1485	4.1485	2.5904	2.5904
H9	3.1183	2.1731	3.1880	1.1088	2.2126	4.1137	2.5904	4.1485		1.7776	2.3706	2.9630
H10	3.1183	2.1731	3.1880	1.1088	2.2126	4.1137	2.5904	4.1485	1.7776		2.9630	2.3706
H11	3.1183	3.1880	2.1731	2.2126	1.1088	4.1137	4.1485	2.5904	2.3706	2.9630		1.7776
H12	3.1183	3.1880	2.1731	2.2126	1.1088	4.1137	4.1485	2.5904	2.9630	2.3706	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.208	C1	C2	H7	134.689
C1	C3	C5	109.208	C1	C3	H8	134.689
C2	C1	C3	112.883	C2	C1	H6	123.559
C2	C4	C5	104.351	C2	C4	H9	111.203
C2	C4	H10	111.203	C3	C1	H6	123.559
C3	C5	C4	104.351	C3	C5	H11	111.203
C3	C5	H12	111.203	C4	C2	H7	116.103
C4	C5	H11	111.817	C4	C5	H12	111.817
C5	C3	H8	116.103	C5	C4	H9	111.817
C5	C4	H10	111.817	H9	C4	H10	106.556
H11	C5	H12	106.556

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

using model chemistry: LSDA/3-21G*

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	-0.200
2	C	-0.188
3	C	-0.188
4	C	-0.471
5	C	-0.471
6	H	0.198
7	H	0.202
8	H	0.202
9	H	0.229
10	H	0.229
11	H	0.229
12	H	0.229

<r²>	99.429
(<r²>)^1/2	9.971

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

using model chemistry: LSDA/3-21G*

States and conformations

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