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	hartrees
Energy at 0K	-194.488843
Energy at 298.15K	-194.495984
HF Energy	-194.488843
Nuclear repulsion energy	162.771337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3116	9.64
2	A₁	3121	3083	4.86
3	A₁	2948	2912	37.24
4	A₁	1447	1429	0.05
5	A₁	1426	1408	9.04
6	A₁	1226	1211	0.34
7	A₁	1080	1067	2.66
8	A₁	1012	1000	0.04
9	A₁	896	885	2.33
10	A₁	790	780	0.01
11	A₂	2948	2912	0.00
12	A₂	1175	1161	0.00
13	A₂	951	940	0.00
14	A₂	623	616	0.00
15	A₂	118	117	0.00
16	B₁	2969	2933	30.74
17	B₁	1099	1086	2.21
18	B₁	913	902	4.39
19	B₁	775	766	2.12
20	B₁	579	572	68.20
21	B₁	440	434	3.04
22	B₂	3143	3105	13.57
23	B₂	2935	2900	29.46
24	B₂	1414	1397	1.67
25	B₂	1374	1357	4.49
26	B₂	1288	1273	4.02
27	B₂	1252	1237	4.32
28	B₂	1049	1036	0.28
29	B₂	900	889	22.73
30	B₂	709	700	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.164
C2	0.000	1.301	0.568
C3	0.000	-1.301	0.568
C4	0.000	0.810	-1.005
C5	0.000	-0.810	-1.005
H6	0.000	0.000	2.582
H7	0.000	2.326	0.909
H8	0.000	-2.326	0.909
H9	0.892	1.150	-1.535
H10	-0.892	1.150	-1.535
H11	0.892	-1.150	-1.535
H12	-0.892	-1.150	-1.535

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4310	1.4310	2.3154	2.3154	1.4180	2.3400	2.3400	3.0669	3.0669	3.0669	3.0669
C2	1.4310		2.6024	1.6486	2.6330	2.3974	1.0799	3.6432	2.2901	2.2901	3.3514	3.3514
C3	1.4310	2.6024		2.6330	1.6486	2.3974	3.6432	1.0799	3.3514	3.3514	2.2901	2.2901
C4	2.3154	1.6486	2.6330		1.6196	3.6775	2.4418	3.6739	1.0923	1.0923	2.2179	2.2179
C5	2.3154	2.6330	1.6486	1.6196		3.6775	3.6739	2.4418	2.2179	2.2179	1.0923	1.0923
H6	1.4180	2.3974	2.3974	3.6775	3.6775		2.8653	2.8653	4.3671	4.3671	4.3671	4.3671
H7	2.3400	1.0799	3.6432	2.4418	3.6739	2.8653		4.6521	2.8553	2.8553	4.3423	4.3423
H8	2.3400	3.6432	1.0799	3.6739	2.4418	2.8653	4.6521		4.3423	4.3423	2.8553	2.8553
H9	3.0669	2.2901	3.3514	1.0923	2.2179	4.3671	2.8553	4.3423		1.7845	2.3006	2.9116
H10	3.0669	2.2901	3.3514	1.0923	2.2179	4.3671	2.8553	4.3423	1.7845		2.9116	2.3006
H11	3.0669	3.3514	2.2901	2.2179	1.0923	4.3671	4.3423	2.8553	2.3006	2.9116		1.7845
H12	3.0669	3.3514	2.2901	2.2179	1.0923	4.3671	4.3423	2.8553	2.9116	2.3006	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.252	C1	C2	H7	137.032
C1	C3	C5	97.252	C1	C3	H8	137.032
C2	C1	C3	130.813	C2	C1	H6	114.594
C2	C4	C5	107.341	C2	C4	H9	111.738
C2	C4	H10	111.738	C3	C1	H6	114.594
C3	C5	C4	107.341	C3	C5	H11	111.738
C3	C5	H12	111.738	C4	C2	H7	125.716
C4	C5	H11	108.162	C4	C5	H12	108.162
C5	C3	H8	125.716	C5	C4	H9	108.162
C5	C4	H10	108.162	H9	C4	H10	109.547
H11	C5	H12	109.547

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

using model chemistry: PBEPBE/Def2TZVPP

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	-0.122
2	C	-0.152
3	C	-0.152
4	C	-0.077
5	C	-0.077
6	H	0.099
7	H	0.101
8	H	0.101
9	H	0.070
10	H	0.070
11	H	0.070
12	H	0.070

<r²>	100.460
(<r²>)^1/2	10.023

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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