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	hartrees
Energy at 0K	-194.478425
Energy at 298.15K	-194.485551
HF Energy	-194.478425
Nuclear repulsion energy	163.129709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3136	7.21
2	A₁	3098	3077	12.48
3	A₁	2942	2922	35.50
4	A₁	1452	1442	0.26
5	A₁	1425	1416	8.34
6	A₁	1231	1222	1.04
7	A₁	1072	1065	4.08
8	A₁	1016	1009	0.01
9	A₁	899	892	4.70
10	A₁	792	787	0.26
11	A₂	2940	2920	0.00
12	A₂	1179	1171	0.00
13	A₂	951	944	0.00
14	A₂	594	590	0.00
15	A₂	117	116	0.00
16	B₁	2962	2941	36.50
17	B₁	1098	1090	2.74
18	B₁	921	914	5.02
19	B₁	777	772	2.22
20	B₁	583	579	56.00
21	B₁	419	417	7.92
22	B₂	3149	3127	9.01
23	B₂	2930	2909	32.70
24	B₂	1425	1415	0.39
25	B₂	1393	1384	4.45
26	B₂	1274	1265	2.87
27	B₂	1255	1246	5.73
28	B₂	1056	1048	1.57
29	B₂	898	892	18.07
30	B₂	707	702	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.149	0.504
C3	0.000	-1.149	0.504
C4	0.000	0.773	-0.961
C5	0.000	-0.773	-0.961
H6	0.000	0.000	2.360
H7	0.000	2.214	0.723
H8	0.000	-2.214	0.723
H9	0.878	1.191	-1.483
H10	-0.878	1.191	-1.483
H11	0.878	-1.191	-1.483
H12	-0.878	-1.191	-1.483

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3795	1.3795	2.3588	2.3588	1.0919	2.2800	2.2800	3.1237	3.1237	3.1237	3.1237
C2	1.3795		2.2978	1.5125	2.4166	2.1824	1.0874	3.3700	2.1731	2.1731	3.1931	3.1931
C3	1.3795	2.2978		2.4166	1.5125	2.1824	3.3700	1.0874	3.1931	3.1931	2.1731	2.1731
C4	2.3588	1.5125	2.4166		1.5459	3.4093	2.2165	3.4290	1.1038	1.1038	2.2138	2.2138
C5	2.3588	2.4166	1.5125	1.5459		3.4093	3.4290	2.2165	2.2138	2.2138	1.1038	1.1038
H6	1.0919	2.1824	2.1824	3.4093	3.4093		2.7531	2.7531	4.1180	4.1180	4.1180	4.1180
H7	2.2800	1.0874	3.3700	2.2165	3.4290	2.7531		4.4280	2.5858	2.5858	4.1514	4.1514
H8	2.2800	3.3700	1.0874	3.4290	2.2165	2.7531	4.4280		4.1514	4.1514	2.5858	2.5858
H9	3.1237	2.1731	3.1931	1.1038	2.2138	4.1180	2.5858	4.1514		1.7557	2.3820	2.9591
H10	3.1237	2.1731	3.1931	1.1038	2.2138	4.1180	2.5858	4.1514	1.7557		2.9591	2.3820
H11	3.1237	3.1931	2.1731	2.2138	1.1038	4.1180	4.1514	2.5858	2.3820	2.9591		1.7557
H12	3.1237	3.1931	2.1731	2.2138	1.1038	4.1180	4.1514	2.5858	2.9591	2.3820	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.218	C1	C2	H7	134.764
C1	C3	C5	109.218	C1	C3	H8	134.764
C2	C1	C3	112.780	C2	C1	H6	123.610
C2	C4	C5	104.392	C2	C4	H9	111.369
C2	C4	H10	111.369	C3	C1	H6	123.610
C3	C5	C4	104.392	C3	C5	H11	111.369
C3	C5	H12	111.369	C4	C2	H7	116.018
C4	C5	H11	112.254	C4	C5	H12	112.254
C5	C3	H8	116.018	C5	C4	H9	112.254
C5	C4	H10	112.254	H9	C4	H10	105.366
H11	C5	H12	105.366

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

using model chemistry: PBEPBE/cc-pVTZ

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	-0.110
2	C	-0.132
3	C	-0.132
4	C	-0.130
5	C	-0.130
6	H	0.093
7	H	0.101
8	H	0.101
9	H	0.084
10	H	0.084
11	H	0.084
12	H	0.084

<r²>	100.014
(<r²>)^1/2	10.001

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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