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	hartrees
Energy at 0K	-194.172136
Energy at 298.15K	-194.179293
HF Energy	-193.414546
Nuclear repulsion energy	162.876661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3240	3142
2	A₁	3186	3090
3	A₁	3034	2942
4	A₁	1516	1471
5	A₁	1505	1460
6	A₁	1298	1259
7	A₁	1116	1082
8	A₁	1049	1017
9	A₁	924	896
10	A₁	813	788
11	A₂	3051	2958
12	A₂	1234	1196
13	A₂	1003	972
14	A₂	611	593
15	A₂	71	69
16	B₁	3071	2978
17	B₁	1153	1118
18	B₁	961	932
19	B₁	817	792
20	B₁	612	594
21	B₁	417	404
22	B₂	3228	3130
23	B₂	3022	2930
24	B₂	1483	1438
25	B₂	1394	1352
26	B₂	1309	1269
27	B₂	1296	1256
28	B₂	1065	1033
29	B₂	910	882
30	B₂	718	696

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.270
C2	0.000	1.148	0.509
C3	0.000	-1.148	0.509
C4	0.000	0.776	-0.968
C5	0.000	-0.776	-0.968
H6	0.000	0.000	2.359
H7	0.000	2.211	0.730
H8	0.000	-2.211	0.730
H9	0.882	1.187	-1.481
H10	-0.882	1.187	-1.481
H11	0.882	-1.187	-1.481
H12	-0.882	-1.187	-1.481

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3777	1.3777	2.3684	2.3684	1.0893	2.2760	2.2760	3.1229	3.1229	3.1229	3.1229
C2	1.3777		2.2967	1.5230	2.4254	2.1778	1.0854	3.3666	2.1764	2.1764	3.1924	3.1924
C3	1.3777	2.2967		2.4254	1.5230	2.1778	3.3666	1.0854	3.1924	3.1924	2.1764	2.1764
C4	2.3684	1.5230	2.4254		1.5512	3.4164	2.2232	3.4354	1.1004	1.1004	2.2124	2.2124
C5	2.3684	2.4254	1.5230	1.5512		3.4164	3.4354	2.2232	2.2124	2.2124	1.1004	1.1004
H6	1.0893	2.1778	2.1778	3.4164	3.4164		2.7465	2.7465	4.1147	4.1147	4.1147	4.1147
H7	2.2760	1.0854	3.3666	2.2232	3.4354	2.7465		4.4220	2.5906	2.5906	4.1488	4.1488
H8	2.2760	3.3666	1.0854	3.4354	2.2232	2.7465	4.4220		4.1488	4.1488	2.5906	2.5906
H9	3.1229	2.1764	3.1924	1.1004	2.2124	4.1147	2.5906	4.1488		1.7649	2.3749	2.9589
H10	3.1229	2.1764	3.1924	1.1004	2.2124	4.1147	2.5906	4.1488	1.7649		2.9589	2.3749
H11	3.1229	3.1924	2.1764	2.2124	1.1004	4.1147	4.1488	2.5906	2.3749	2.9589		1.7649
H12	3.1229	3.1924	2.1764	2.2124	1.1004	4.1147	4.1488	2.5906	2.9589	2.3749	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.368	C1	C2	H7	134.713
C1	C3	C5	109.368	C1	C3	H8	134.713
C2	C1	C3	112.930	C2	C1	H6	123.535
C2	C4	C5	104.167	C2	C4	H9	111.094
C2	C4	H10	111.094	C3	C1	H6	123.535
C3	C5	C4	104.167	C3	C5	H11	111.094
C3	C5	H12	111.094	C4	C2	H7	115.919
C4	C5	H11	111.977	C4	C5	H12	111.977
C5	C3	H8	115.919	C5	C4	H9	111.977
C5	C4	H10	111.977	H9	C4	H10	106.632
H11	C5	H12	106.632

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

using model chemistry: MP4/6-311G**

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

using model chemistry: MP4/6-311G**

States and conformations

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