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	hartrees
Energy at 0K	-194.666858
Energy at 298.15K	-194.674143
HF Energy	-194.666858
Nuclear repulsion energy	163.348233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3101	12.26
2	A₁	3211	3071	4.22
3	A₁	3048	2916	40.99
4	A₁	1502	1437	3.03
5	A₁	1495	1430	4.20
6	A₁	1295	1239	0.43
7	A₁	1109	1061	2.48
8	A₁	1044	999	0.00
9	A₁	923	883	1.93
10	A₁	817	781	0.00
11	A₂	3058	2925	0.00
12	A₂	1230	1177	0.00
13	A₂	996	953	0.00
14	A₂	638	611	0.00
15	A₂	124	119	0.00
16	B₁	3079	2945	45.65
17	B₁	1152	1102	2.05
18	B₁	947	906	4.29
19	B₁	814	779	1.77
20	B₁	587	562	75.42
21	B₁	451	432	3.33
22	B₂	3228	3087	16.61
23	B₂	3035	2903	35.26
24	B₂	1475	1411	1.72
25	B₂	1401	1340	8.31
26	B₂	1327	1269	4.29
27	B₂	1303	1246	2.63
28	B₂	1065	1019	0.08
29	B₂	921	881	21.72
30	B₂	730	698	0.20

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	2.324	0.908
H8	0.000	-2.324	0.908
H9	0.890	1.149	-1.534
H10	-0.890	1.149	-1.534
H11	0.890	-1.149	-1.534
H12	-0.890	-1.149	-1.534

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4307	1.4307	2.3149	2.3149	1.4180	2.3377	2.3377	3.0645	3.0645	3.0645	3.0645
C2	1.4307		2.6021	1.6484	2.6327	2.3970	1.0777	3.6407	2.2884	2.2884	3.3491	3.3491
C3	1.4307	2.6021		2.6327	1.6484	2.3970	3.6407	1.0777	3.3491	3.3491	2.2884	2.2884
C4	2.3149	1.6484	2.6327		1.6194	3.6770	2.4400	3.6714	1.0899	1.0899	2.2157	2.2157
C5	2.3149	2.6327	1.6484	1.6194		3.6770	3.6714	2.4400	2.2157	2.2157	1.0899	1.0899
H6	1.4180	2.3970	2.3970	3.6770	3.6770		2.8634	2.8634	4.3649	4.3649	4.3649	4.3649
H7	2.3377	1.0777	3.6407	2.4400	3.6714	2.8634		4.6474	2.8528	2.8528	4.3380	4.3380
H8	2.3377	3.6407	1.0777	3.6714	2.4400	2.8634	4.6474		4.3380	4.3380	2.8528	2.8528
H9	3.0645	2.2884	3.3491	1.0899	2.2157	4.3649	2.8528	4.3380		1.7808	2.2980	2.9073
H10	3.0645	2.2884	3.3491	1.0899	2.2157	4.3649	2.8528	4.3380	1.7808		2.9073	2.2980
H11	3.0645	3.3491	2.2884	2.2157	1.0899	4.3649	4.3380	2.8528	2.2980	2.9073		1.7808
H12	3.0645	3.3491	2.2884	2.2157	1.0899	4.3649	4.3380	2.8528	2.9073	2.2980	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.239	C1	C2	H7	137.030
C1	C3	C5	97.239	C1	C3	H8	137.030
C2	C1	C3	130.836	C2	C1	H6	114.582
C2	C4	C5	107.343	C2	C4	H9	111.750
C2	C4	H10	111.750	C3	C1	H6	114.582
C3	C5	C4	107.343	C3	C5	H11	111.750
C3	C5	H12	111.750	C4	C2	H7	125.731
C4	C5	H11	108.139	C4	C5	H12	108.139
C5	C3	H8	125.731	C5	C4	H9	108.139
C5	C4	H10	108.139	H9	C4	H10	109.564
H11	C5	H12	109.564

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

using model chemistry: wB97X-D/6-311G**

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	-0.080
2	C	-0.168
3	C	-0.168
4	C	-0.228
5	C	-0.228
6	H	0.105
7	H	0.115
8	H	0.115
9	H	0.134
10	H	0.134
11	H	0.134
12	H	0.134

<r²>	99.603
(<r²>)^1/2	9.980

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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