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	hartrees
Energy at 0K	-193.571821
Energy at 298.15K	-193.578936
HF Energy	-193.571821
Nuclear repulsion energy	164.028082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3122	3.85
2	A₁	3125	3066	8.23
3	A₁	2955	2900	20.09
4	A₁	1483	1455	0.01
5	A₁	1418	1392	11.50
6	A₁	1255	1231	1.53
7	A₁	1083	1063	3.40
8	A₁	1045	1026	0.09
9	A₁	929	912	6.52
10	A₁	798	783	0.51
11	A₂	2965	2910	0.00
12	A₂	1164	1142	0.00
13	A₂	938	920	0.00
14	A₂	599	588	0.00
15	A₂	108	106	0.00
16	B₁	2983	2927	24.69
17	B₁	1093	1072	1.39
18	B₁	926	909	3.18
19	B₁	776	761	0.97
20	B₁	592	581	52.86
21	B₁	424	416	11.32
22	B₂	3173	3113	2.73
23	B₂	2943	2888	26.34
24	B₂	1477	1449	0.00
25	B₂	1388	1362	5.66
26	B₂	1297	1273	6.20
27	B₂	1244	1221	3.70
28	B₂	1058	1038	1.58
29	B₂	924	907	22.17
30	B₂	713	700	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.260
C2	0.000	1.143	0.497
C3	0.000	-1.143	0.497
C4	0.000	0.765	-0.950
C5	0.000	-0.765	-0.950
H6	0.000	0.000	2.357
H7	0.000	2.212	0.718
H8	0.000	-2.212	0.718
H9	0.878	1.187	-1.480
H10	-0.878	1.187	-1.480
H11	0.878	-1.187	-1.480
H12	-0.878	-1.187	-1.480

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3742	1.3742	2.3388	2.3388	1.0962	2.2774	2.2774	3.1123	3.1123	3.1123	3.1123
C2	1.3742		2.2852	1.4951	2.3941	2.1827	1.0919	3.3618	2.1630	2.1630	3.1786	3.1786
C3	1.3742	2.2852		2.3941	1.4951	2.1827	3.3618	1.0919	3.1786	3.1786	2.1630	2.1630
C4	2.3388	1.4951	2.3941		1.5300	3.3938	2.2080	3.4123	1.1087	1.1087	2.2049	2.2049
C5	2.3388	2.3941	1.4951	1.5300		3.3938	3.4123	2.2080	2.2049	2.2049	1.1087	1.1087
H6	1.0962	2.1827	2.1827	3.3938	3.3938		2.7527	2.7527	4.1104	4.1104	4.1104	4.1104
H7	2.2774	1.0919	3.3618	2.2080	3.4123	2.7527		4.4238	2.5789	2.5789	4.1415	4.1415
H8	2.2774	3.3618	1.0919	3.4123	2.2080	2.7527	4.4238		4.1415	4.1415	2.5789	2.5789
H9	3.1123	2.1630	3.1786	1.1087	2.2049	4.1104	2.5789	4.1415		1.7557	2.3739	2.9526
H10	3.1123	2.1630	3.1786	1.1087	2.2049	4.1104	2.5789	4.1415	1.7557		2.9526	2.3739
H11	3.1123	3.1786	2.1630	2.2049	1.1087	4.1104	4.1415	2.5789	2.3739	2.9526		1.7557
H12	3.1123	3.1786	2.1630	2.2049	1.1087	4.1104	4.1415	2.5789	2.9526	2.3739	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.125	C1	C2	H7	134.555
C1	C3	C5	109.125	C1	C3	H8	134.555
C2	C1	C3	112.493	C2	C1	H6	123.754
C2	C4	C5	104.628	C2	C4	H9	111.480
C2	C4	H10	111.480	C3	C1	H6	123.754
C3	C5	C4	104.628	C3	C5	H11	111.480
C3	C5	H12	111.480	C4	C2	H7	116.320
C4	C5	H11	112.369	C4	C5	H12	112.369
C5	C3	H8	116.320	C5	C4	H9	112.369
C5	C4	H10	112.369	H9	C4	H10	104.702
H11	C5	H12	104.702

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.061
2	C	-0.128
3	C	-0.128
4	C	-0.303
5	C	-0.303
6	H	0.108
7	H	0.116
8	H	0.116
9	H	0.146
10	H	0.146
11	H	0.146
12	H	0.146

<r²>	98.590
(<r²>)^1/2	9.929

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

using model chemistry: LSDA/6-31G**

States and conformations

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