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	hartrees
Energy at 0K	-192.192736
Energy at 298.15K	-192.199638
HF Energy	-192.192736
Nuclear repulsion energy	160.051960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3389	3135	0.20
2	A₁	3342	3092	0.28
3	A₁	3201	2961	1.64
4	A₁	1625	1503	1.95
5	A₁	1545	1430	1.20
6	A₁	1348	1248	0.03
7	A₁	1133	1048	0.14
8	A₁	1073	992	0.25
9	A₁	942	872	1.69
10	A₁	821	759	0.25
11	A₂	3284	3039	0.00
12	A₂	1291	1194	0.00
13	A₂	1042	964	0.00
14	A₂	588	544	0.00
15	A₂	168	155	0.00
16	B₁	3292	3046	6.21
17	B₁	1195	1105	0.09
18	B₁	957	885	2.38
19	B₁	833	771	0.71
20	B₁	592	547	24.37
21	B₁	407	377	5.39
22	B₂	3371	3119	9.45
23	B₂	3195	2956	5.37
24	B₂	1609	1489	0.08
25	B₂	1457	1348	13.25
26	B₂	1360	1258	1.05
27	B₂	1351	1250	1.68
28	B₂	1115	1032	0.25
29	B₂	949	878	4.03
30	B₂	732	677	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.293
C2	0.000	1.169	0.520
C3	0.000	-1.169	0.520
C4	0.000	0.791	-0.986
C5	0.000	-0.791	-0.986
H6	0.000	0.000	2.400
H7	0.000	2.252	0.731
H8	0.000	-2.252	0.731
H9	0.895	1.204	-1.507
H10	-0.895	1.204	-1.507
H11	0.895	-1.204	-1.507
H12	-0.895	-1.204	-1.507

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4012	1.4012	2.4121	2.4121	1.1068	2.3213	2.3213	3.1767	3.1767	3.1767	3.1767
C2	1.4012		2.3376	1.5528	2.4714	2.2134	1.1037	3.4275	2.2162	2.2162	3.2469	3.2469
C3	1.4012	2.3376		2.4714	1.5528	2.2134	3.4275	1.1037	3.2469	3.2469	2.2162	2.2162
C4	2.4121	1.5528	2.4714		1.5813	3.4767	2.2546	3.4937	1.1150	1.1150	2.2477	2.2477
C5	2.4121	2.4714	1.5528	1.5813		3.4767	3.4937	2.2546	2.2477	2.2477	1.1150	1.1150
H6	1.1068	2.2134	2.2134	3.4767	3.4767		2.8032	2.8032	4.1851	4.1851	4.1851	4.1851
H7	2.3213	1.1037	3.4275	2.2546	3.4937	2.8032		4.5044	2.6281	2.6281	4.2139	4.2139
H8	2.3213	3.4275	1.1037	3.4937	2.2546	2.8032	4.5044		4.2139	4.2139	2.6281	2.6281
H9	3.1767	2.2162	3.2469	1.1150	2.2477	4.1851	2.6281	4.2139		1.7892	2.4087	3.0005
H10	3.1767	2.2162	3.2469	1.1150	2.2477	4.1851	2.6281	4.2139	1.7892		3.0005	2.4087
H11	3.1767	3.2469	2.2162	2.2477	1.1150	4.1851	4.2139	2.6281	2.4087	3.0005		1.7892
H12	3.1767	3.2469	2.2162	2.2477	1.1150	4.1851	4.2139	2.6281	3.0005	2.4087	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.376	C1	C2	H7	135.527
C1	C3	C5	109.376	C1	C3	H8	135.527
C2	C1	C3	113.059	C2	C1	H6	123.471
C2	C4	C5	104.095	C2	C4	H9	111.292
C2	C4	H10	111.292	C3	C1	H6	123.471
C3	C5	C4	104.095	C3	C5	H11	111.292
C3	C5	H12	111.292	C4	C2	H7	115.097
C4	C5	H11	111.780	C4	C5	H12	111.780
C5	C3	H8	115.097	C5	C4	H9	111.780
C5	C4	H10	111.780	H9	C4	H10	106.706
H11	C5	H12	106.706

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

using model chemistry: BLYP/STO-3G

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	-0.098
2	C	-0.066
3	C	-0.066
4	C	-0.136
5	C	-0.136
6	H	0.075
7	H	0.073
8	H	0.073
9	H	0.071
10	H	0.071
11	H	0.071
12	H	0.071

<r²>	101.570
(<r²>)^1/2	10.078

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

using model chemistry: BLYP/STO-3G

States and conformations

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