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	hartrees
Energy at 0K	-193.391946
Energy at 298.15K	-193.399285
HF Energy	-193.391946
Nuclear repulsion energy	163.203068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3371	3371	12.84
2	A₁	3327	3327	11.52
3	A₁	3169	3169	67.21
4	A₁	1607	1607	2.32
5	A₁	1562	1562	0.01
6	A₁	1401	1401	0.04
7	A₁	1152	1152	2.05
8	A₁	1089	1089	0.46
9	A₁	965	965	0.85
10	A₁	855	855	0.08
11	A₂	3172	3172	0.00
12	A₂	1334	1334	0.00
13	A₂	1068	1068	0.00
14	A₂	594	594	0.00
15	A₂	102	102	0.00
16	B₁	3198	3198	73.66
17	B₁	1223	1223	3.61
18	B₁	963	963	10.41
19	B₁	865	865	1.85
20	B₁	601	601	61.67
21	B₁	413	413	9.26
22	B₂	3361	3361	17.57
23	B₂	3151	3151	49.01
24	B₂	1579	1579	0.53
25	B₂	1505	1505	2.39
26	B₂	1418	1418	3.26
27	B₂	1402	1402	0.03
28	B₂	1132	1132	0.82
29	B₂	957	957	8.09
30	B₂	767	767	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.274
C2	0.000	1.149	0.505
C3	0.000	-1.149	0.505
C4	0.000	0.772	-0.966
C5	0.000	-0.772	-0.966
H6	0.000	0.000	2.356
H7	0.000	2.207	0.718
H8	0.000	-2.207	0.718
H9	0.875	1.182	-1.475
H10	-0.875	1.182	-1.475
H11	0.875	-1.182	-1.475
H12	-0.875	-1.182	-1.475

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3823	1.3823	2.3693	2.3693	1.0819	2.2754	2.2754	3.1177	3.1177	3.1177	3.1177
C2	1.3823		2.2977	1.5190	2.4197	2.1781	1.0789	3.3621	2.1657	2.1657	3.1812	3.1812
C3	1.3823	2.2977		2.4197	1.5190	2.1781	3.3621	1.0789	3.1812	3.1812	2.1657	2.1657
C4	2.3693	1.5190	2.4197		1.5439	3.4105	2.2126	3.4218	1.0924	1.0924	2.2004	2.2004
C5	2.3693	2.4197	1.5190	1.5439		3.4105	3.4218	2.2126	2.2004	2.2004	1.0924	1.0924
H6	1.0819	2.1781	2.1781	3.4105	3.4105		2.7477	2.7477	4.1036	4.1036	4.1036	4.1036
H7	2.2754	1.0789	3.3621	2.2126	3.4218	2.7477		4.4130	2.5747	2.5747	4.1300	4.1300
H8	2.2754	3.3621	1.0789	3.4218	2.2126	2.7477	4.4130		4.1300	4.1300	2.5747	2.5747
H9	3.1177	2.1657	3.1812	1.0924	2.2004	4.1036	2.5747	4.1300		1.7509	2.3630	2.9410
H10	3.1177	2.1657	3.1812	1.0924	2.2004	4.1036	2.5747	4.1300	1.7509		2.9410	2.3630
H11	3.1177	3.1812	2.1657	2.2004	1.0924	4.1036	4.1300	2.5747	2.3630	2.9410		1.7509
H12	3.1177	3.1812	2.1657	2.2004	1.0924	4.1036	4.1300	2.5747	2.9410	2.3630	1.7509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.416	C1	C2	H7	134.829
C1	C3	C5	109.416	C1	C3	H8	134.829
C2	C1	C3	112.434	C2	C1	H6	123.783
C2	C4	C5	104.367	C2	C4	H9	111.005
C2	C4	H10	111.005	C3	C1	H6	123.783
C3	C5	C4	104.367	C3	C5	H11	111.005
C3	C5	H12	111.005	C4	C2	H7	115.755
C4	C5	H11	112.018	C4	C5	H12	112.018
C5	C3	H8	115.755	C5	C4	H9	112.018
C5	C4	H10	112.018	H9	C4	H10	106.530
H11	C5	H12	106.530

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

using model chemistry: ROHF/aug-cc-pVDZ

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	0.740
2	C	0.033
3	C	0.033
4	C	0.242
5	C	0.242
6	H	-0.258
7	H	-0.330
8	H	-0.330
9	H	-0.093
10	H	-0.093
11	H	-0.093
12	H	-0.093

<r²>	100.114
(<r²>)^1/2	10.006

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

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

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