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	hartrees
Energy at 0K	-194.046191
Energy at 298.15K	-194.053417
HF Energy	-193.369739
Nuclear repulsion energy	163.125289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3254	3107
2	A₁	3196	3051
3	A₁	3041	2904
4	A₁	1549	1479
5	A₁	1541	1471
6	A₁	1322	1262
7	A₁	1140	1089
8	A₁	1065	1017
9	A₁	935	893
10	A₁	822	785
11	A₂	3058	2920
12	A₂	1254	1197
13	A₂	1027	981
14	A₂	611	584
15	A₂	105	100
16	B₁	3076	2937
17	B₁	1170	1117
18	B₁	959	916
19	B₁	835	797
20	B₁	620	592
21	B₁	418	399
22	B₂	3243	3097
23	B₂	3030	2893
24	B₂	1522	1453
25	B₂	1421	1357
26	B₂	1339	1279
27	B₂	1323	1263
28	B₂	1096	1047
29	B₂	928	886
30	B₂	729	696

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.145	0.507
C3	0.000	-1.145	0.507
C4	0.000	0.774	-0.965
C5	0.000	-0.774	-0.965
H6	0.000	0.000	2.359
H7	0.000	2.209	0.730
H8	0.000	-2.209	0.730
H9	0.881	1.188	-1.482
H10	-0.881	1.188	-1.482
H11	0.881	-1.188	-1.482
H12	-0.881	-1.188	-1.482

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3747	1.3747	2.3635	2.3635	1.0911	2.2733	2.2733	3.1224	3.1224	3.1224	3.1224
C2	1.3747		2.2903	1.5185	2.4192	2.1771	1.0865	3.3611	2.1761	2.1761	3.1902	3.1902
C3	1.3747	2.2903		2.4192	1.5185	2.1771	3.3611	1.0865	3.1902	3.1902	2.1761	2.1761
C4	2.3635	1.5185	2.4192		1.5485	3.4131	2.2204	3.4308	1.1019	1.1019	2.2122	2.2122
C5	2.3635	2.4192	1.5185	1.5485		3.4131	3.4308	2.2204	2.2122	2.2122	1.1019	1.1019
H6	1.0911	2.1771	2.1771	3.4131	3.4131		2.7446	2.7446	4.1159	4.1159	4.1159	4.1159
H7	2.2733	1.0865	3.3611	2.2204	3.4308	2.7446		4.4173	2.5902	2.5902	4.1480	4.1480
H8	2.2733	3.3611	1.0865	3.4308	2.2204	2.7446	4.4173		4.1480	4.1480	2.5902	2.5902
H9	3.1224	2.1761	3.1902	1.1019	2.2122	4.1159	2.5902	4.1480		1.7615	2.3763	2.9579
H10	3.1224	2.1761	3.1902	1.1019	2.2122	4.1159	2.5902	4.1480	1.7615		2.9579	2.3763
H11	3.1224	3.1902	2.1761	2.2122	1.1019	4.1159	4.1480	2.5902	2.3763	2.9579		1.7615
H12	3.1224	3.1902	2.1761	2.2122	1.1019	4.1159	4.1480	2.5902	2.9579	2.3763	1.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.455	C1	C2	H7	134.599
C1	C3	C5	109.455	C1	C3	H8	134.599
C2	C1	C3	112.818	C2	C1	H6	123.591
C2	C4	C5	104.137	C2	C4	H9	111.292
C2	C4	H10	111.292	C3	C1	H6	123.591
C3	C5	C4	104.137	C3	C5	H11	111.292
C3	C5	H12	111.292	C4	C2	H7	115.946
C4	C5	H11	112.063	C4	C5	H12	112.063
C5	C3	H8	115.946	C5	C4	H9	112.063
C5	C4	H10	112.063	H9	C4	H10	106.127
H11	C5	H12	106.127

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

using model chemistry: MP4/6-31G*

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

using model chemistry: MP4/6-31G*

States and conformations

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