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	hartrees
Energy at 0K	-194.530402
Energy at 298.15K	-194.537757
HF Energy	-194.530402
Nuclear repulsion energy	163.440639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3140	10.51
2	A₁	3239	3089	11.07
3	A₁	3058	2916	33.39
4	A₁	1540	1469	5.61
5	A₁	1519	1449	2.42
6	A₁	1306	1246	1.39
7	A₁	1137	1085	3.15
8	A₁	1070	1021	0.10
9	A₁	939	896	4.78
10	A₁	829	791	0.21
11	A₂	3070	2928	0.00
12	A₂	1252	1194	0.00
13	A₂	1023	976	0.00
14	A₂	648	618	0.00
15	A₂	129	123	0.00
16	B₁	3092	2948	48.44
17	B₁	1171	1117	1.87
18	B₁	991	945	4.54
19	B₁	836	797	1.20
20	B₁	627	598	72.95
21	B₁	440	420	8.67
22	B₂	3279	3127	11.95
23	B₂	3043	2902	37.39
24	B₂	1518	1447	1.67
25	B₂	1464	1396	4.64
26	B₂	1356	1293	0.00
27	B₂	1339	1277	11.35
28	B₂	1123	1071	0.89
29	B₂	942	898	16.19
30	B₂	742	707	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.147	0.504
C3	0.000	-1.147	0.504
C4	0.000	0.772	-0.962
C5	0.000	-0.772	-0.962
H6	0.000	0.000	2.351
H7	0.000	2.204	0.722
H8	0.000	-2.204	0.722
H9	0.876	1.183	-1.479
H10	-0.876	1.183	-1.479
H11	0.876	-1.183	-1.479
H12	-0.876	-1.183	-1.479

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3777	1.3777	2.3599	2.3599	1.0832	2.2710	2.2710	3.1169	3.1169	3.1169	3.1169
C2	1.3777		2.2932	1.5135	2.4147	2.1739	1.0801	3.3581	2.1687	2.1687	3.1827	3.1827
C3	1.3777	2.2932		2.4147	1.5135	2.1739	3.3581	1.0801	3.1827	3.1827	2.1687	2.1687
C4	2.3599	1.5135	2.4147		1.5437	3.4021	2.2112	3.4199	1.0971	1.0971	2.2038	2.2038
C5	2.3599	2.4147	1.5135	1.5437		3.4021	3.4199	2.2112	2.2038	2.2038	1.0971	1.0971
H6	1.0832	2.1739	2.1739	3.4021	3.4021		2.7410	2.7410	4.1037	4.1037	4.1037	4.1037
H7	2.2710	1.0801	3.3581	2.2112	3.4199	2.7410		4.4089	2.5801	2.5801	4.1341	4.1341
H8	2.2710	3.3581	1.0801	3.4199	2.2112	2.7410	4.4089		4.1341	4.1341	2.5801	2.5801
H9	3.1169	2.1687	3.1827	1.0971	2.2038	4.1037	2.5801	4.1341		1.7514	2.3664	2.9440
H10	3.1169	2.1687	3.1827	1.0971	2.2038	4.1037	2.5801	4.1341	1.7514		2.9440	2.3664
H11	3.1169	3.1827	2.1687	2.2038	1.0971	4.1037	4.1341	2.5801	2.3664	2.9440		1.7514
H12	3.1169	3.1827	2.1687	2.2038	1.0971	4.1037	4.1341	2.5801	2.9440	2.3664	1.7514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.333	C1	C2	H7	134.689
C1	C3	C5	109.333	C1	C3	H8	134.689
C2	C1	C3	112.665	C2	C1	H6	123.667
C2	C4	C5	104.335	C2	C4	H9	111.344
C2	C4	H10	111.344	C3	C1	H6	123.667
C3	C5	C4	104.335	C3	C5	H11	111.344
C3	C5	H12	111.344	C4	C2	H7	115.978
C4	C5	H11	112.021	C4	C5	H12	112.021
C5	C3	H8	115.978	C5	C4	H9	112.021
C5	C4	H10	112.021	H9	C4	H10	105.916
H11	C5	H12	105.916

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

using model chemistry: B1B95/6-31G

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	-0.096
2	C	-0.166
3	C	-0.166
4	C	-0.357
5	C	-0.357
6	H	0.156
7	H	0.158
8	H	0.158
9	H	0.167
10	H	0.167
11	H	0.167
12	H	0.167

<r²>	99.248
(<r²>)^1/2	9.962

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

using model chemistry: B1B95/6-31G

States and conformations

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