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	hartrees
Energy at 0K	-194.582064
Energy at 298.15K	-194.589185
HF Energy	-194.582064
Nuclear repulsion energy	162.214437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3139	8.07
2	A₁	3091	3074	17.66
3	A₁	2931	2914	40.84
4	A₁	1451	1443	0.59
5	A₁	1436	1428	2.76
6	A₁	1229	1222	0.02
7	A₁	1077	1071	2.86
8	A₁	1000	994	0.03
9	A₁	881	876	2.83
10	A₁	787	782	0.29
11	A₂	2926	2910	0.00
12	A₂	1188	1181	0.00
13	A₂	961	956	0.00
14	A₂	585	581	0.00
15	A₂	129	129	0.00
16	B₁	2947	2931	52.17
17	B₁	1102	1096	2.13
18	B₁	929	924	3.01
19	B₁	783	778	1.18
20	B₁	592	589	37.27
21	B₁	417	414	6.91
22	B₂	3147	3130	12.75
23	B₂	2917	2901	39.57
24	B₂	1432	1424	0.08
25	B₂	1395	1387	1.74
26	B₂	1273	1266	1.00
27	B₂	1258	1252	5.05
28	B₂	1069	1063	1.20
29	B₂	886	882	11.28
30	B₂	703	699	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.274
C2	0.000	1.155	0.510
C3	0.000	-1.155	0.510
C4	0.000	0.780	-0.968
C5	0.000	-0.780	-0.968
H6	0.000	0.000	2.367
H7	0.000	2.220	0.728
H8	0.000	-2.220	0.728
H9	0.879	1.199	-1.493
H10	-0.879	1.199	-1.493
H11	0.879	-1.199	-1.493
H12	-0.879	-1.199	-1.493

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3844	1.3844	2.3744	2.3744	1.0929	2.2864	2.2864	3.1410	3.1410	3.1410	3.1410
C2	1.3844		2.3094	1.5255	2.4354	2.1864	1.0877	3.3820	2.1882	2.1882	3.2133	3.2133
C3	1.3844	2.3094		2.4354	1.5255	2.1864	3.3820	1.0877	3.2133	3.2133	2.1882	2.1882
C4	2.3744	1.5255	2.4354		1.5605	3.4256	2.2256	3.4472	1.1061	1.1061	2.2282	2.2282
C5	2.3744	2.4354	1.5255	1.5605		3.4256	3.4472	2.2256	2.2282	2.2282	1.1061	1.1061
H6	1.0929	2.1864	2.1864	3.4256	3.4256		2.7595	2.7595	4.1363	4.1363	4.1363	4.1363
H7	2.2864	1.0877	3.3820	2.2256	3.4472	2.7595		4.4406	2.5982	2.5982	4.1711	4.1711
H8	2.2864	3.3820	1.0877	3.4472	2.2256	2.7595	4.4406		4.1711	4.1711	2.5982	2.5982
H9	3.1410	2.1882	3.2133	1.1061	2.2282	4.1363	2.5982	4.1711		1.7588	2.3977	2.9735
H10	3.1410	2.1882	3.2133	1.1061	2.2282	4.1363	2.5982	4.1711	1.7588		2.9735	2.3977
H11	3.1410	3.2133	2.1882	2.2282	1.1061	4.1363	4.1711	2.5982	2.3977	2.9735		1.7588
H12	3.1410	3.2133	2.1882	2.2282	1.1061	4.1363	4.1711	2.5982	2.9735	2.3977	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.273	C1	C2	H7	134.954
C1	C3	C5	109.273	C1	C3	H8	134.954
C2	C1	C3	113.039	C2	C1	H6	123.481
C2	C4	C5	104.208	C2	C4	H9	111.509
C2	C4	H10	111.509	C3	C1	H6	123.481
C3	C5	C4	104.208	C3	C5	H11	111.509
C3	C5	H12	111.509	C4	C2	H7	115.773
C4	C5	H11	112.236	C4	C5	H12	112.236
C5	C3	H8	115.773	C5	C4	H9	112.236
C5	C4	H10	112.236	H9	C4	H10	105.318
H11	C5	H12	105.318

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

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.046
2	C	-0.060
3	C	-0.060
4	C	-0.204
5	C	-0.204
6	H	0.064
7	H	0.077
8	H	0.077
9	H	0.089
10	H	0.089
11	H	0.089
12	H	0.089

<r²>	100.674
(<r²>)^1/2	10.034

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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