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	hartrees
Energy at 0K	-194.651113
Energy at 298.15K	-194.658392
HF Energy	-194.651113
Nuclear repulsion energy	161.958879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3130	14.90
2	A₁	3199	3075	10.98
3	A₁	3034	2917	50.43
4	A₁	1515	1457	11.31
5	A₁	1481	1424	0.73
6	A₁	1286	1236	2.97
7	A₁	1112	1069	5.73
8	A₁	1051	1010	1.00
9	A₁	914	879	7.02
10	A₁	814	783	0.04
11	A₂	3050	2932	0.00
12	A₂	1229	1182	0.00
13	A₂	1010	971	0.00
14	A₂	644	619	0.00
15	A₂	131	126	0.00
16	B₁	3074	2955	74.87
17	B₁	1144	1100	2.71
18	B₁	978	940	6.68
19	B₁	820	788	0.67
20	B₁	617	594	106.12
21	B₁	433	416	10.39
22	B₂	3239	3114	16.07
23	B₂	3017	2901	42.15
24	B₂	1496	1438	3.55
25	B₂	1430	1374	5.26
26	B₂	1325	1274	0.99
27	B₂	1318	1267	12.02
28	B₂	1100	1058	1.34
29	B₂	921	885	22.05
30	B₂	729	701	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.281
C2	0.000	1.160	0.510
C3	0.000	-1.160	0.510
C4	0.000	0.779	-0.972
C5	0.000	-0.779	-0.972
H6	0.000	0.000	2.369
H7	0.000	2.224	0.721
H8	0.000	-2.224	0.721
H9	0.880	1.192	-1.489
H10	-0.880	1.192	-1.489
H11	0.880	-1.192	-1.489
H12	-0.880	-1.192	-1.489

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3924	1.3924	2.3842	2.3842	1.0876	2.2935	2.2935	3.1412	3.1412	3.1412	3.1412
C2	1.3924		2.3192	1.5306	2.4407	2.1905	1.0850	3.3902	2.1846	2.1846	3.2093	3.2093
C3	1.3924	2.3192		2.4407	1.5306	2.1905	3.3902	1.0850	3.2093	3.2093	2.1846	2.1846
C4	2.3842	1.5306	2.4407		1.5584	3.4306	2.2257	3.4476	1.1008	1.1008	2.2194	2.2194
C5	2.3842	2.4407	1.5306	1.5584		3.4306	3.4476	2.2257	2.2194	2.2194	1.1008	1.1008
H6	1.0876	2.1905	2.1905	3.4306	3.4306		2.7680	2.7680	4.1322	4.1322	4.1322	4.1322
H7	2.2935	1.0850	3.3902	2.2257	3.4476	2.7680		4.4481	2.5928	2.5928	4.1622	4.1622
H8	2.2935	3.3902	1.0850	3.4476	2.2257	2.7680	4.4481		4.1622	4.1622	2.5928	2.5928
H9	3.1412	2.1846	3.2093	1.1008	2.2194	4.1322	2.5928	4.1622		1.7605	2.3833	2.9630
H10	3.1412	2.1846	3.2093	1.1008	2.2194	4.1322	2.5928	4.1622	1.7605		2.9630	2.3833
H11	3.1412	3.2093	2.1846	2.2194	1.1008	4.1322	4.1622	2.5928	2.3833	2.9630		1.7605
H12	3.1412	3.2093	2.1846	2.2194	1.1008	4.1322	4.1622	2.5928	2.9630	2.3833	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.219	C1	C2	H7	135.207
C1	C3	C5	109.219	C1	C3	H8	135.207
C2	C1	C3	112.779	C2	C1	H6	123.610
C2	C4	C5	104.391	C2	C4	H9	111.187
C2	C4	H10	111.187	C3	C1	H6	123.610
C3	C5	C4	104.391	C3	C5	H11	111.187
C3	C5	H12	111.187	C4	C2	H7	115.575
C4	C5	H11	112.004	C4	C5	H12	112.004
C5	C3	H8	115.575	C5	C4	H9	112.004
C5	C4	H10	112.004	H9	C4	H10	106.191
H11	C5	H12	106.191

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

using model chemistry: B3LYP/SDD

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	-0.203
2	C	-0.238
3	C	-0.238
4	C	-0.412
5	C	-0.412
6	H	0.234
7	H	0.231
8	H	0.231
9	H	0.201
10	H	0.201
11	H	0.201
12	H	0.201

<r²>	100.798
(<r²>)^1/2	10.040

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

using model chemistry: B3LYP/SDD

States and conformations

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