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	hartrees
Energy at 0K	-194.271717
Energy at 298.15K	-194.278943
HF Energy	-193.435776
Nuclear repulsion energy	163.538861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3111	8.66
2	A₁	3207	3064	8.30
3	A₁	3052	2916	38.47
4	A₁	1515	1447	2.66
5	A₁	1507	1440	1.30
6	A₁	1308	1250	0.29
7	A₁	1114	1064	2.92
8	A₁	1052	1006	0.04
9	A₁	930	888	2.13
10	A₁	819	782	0.16
11	A₂	3060	2924	0.00
12	A₂	1251	1196	0.00
13	A₂	1009	964	0.00
14	A₂	617	589	0.00
15	A₂	91	87	0.00
16	B₁	3082	2944	42.73
17	B₁	1158	1106	3.49
18	B₁	962	920	6.06
19	B₁	818	781	3.47
20	B₁	604	577	56.79
21	B₁	421	402	7.03
22	B₂	3245	3100	7.43
23	B₂	3038	2903	31.45
24	B₂	1490	1424	1.02
25	B₂	1431	1367	2.65
26	B₂	1334	1274	2.20
27	B₂	1322	1264	3.94
28	B₂	1086	1037	1.20
29	B₂	925	884	12.83
30	B₂	727	695	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.146	0.505
C3	0.000	-1.146	0.505
C4	0.000	0.772	-0.963
C5	0.000	-0.772	-0.963
H6	0.000	0.000	2.350
H7	0.000	2.202	0.723
H8	0.000	-2.202	0.723
H9	0.875	1.182	-1.475
H10	-0.875	1.182	-1.475
H11	0.875	-1.182	-1.475
H12	-0.875	-1.182	-1.475

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3767	1.3767	2.3610	2.3610	1.0818	2.2682	2.2682	3.1119	3.1119	3.1119	3.1119
C2	1.3767		2.2916	1.5151	2.4149	2.1719	1.0783	3.3547	2.1644	2.1644	3.1782	3.1782
C3	1.3767	2.2916		2.4149	1.5151	2.1719	3.3547	1.0783	3.1782	3.1782	2.1644	2.1644
C4	2.3610	1.5151	2.4149		1.5430	3.4018	2.2112	3.4182	1.0931	1.0931	2.2004	2.2004
C5	2.3610	2.4149	1.5151	1.5430		3.4018	3.4182	2.2112	2.2004	2.2004	1.0931	1.0931
H6	1.0818	2.1719	2.1719	3.4018	3.4018		2.7376	2.7376	4.0973	4.0973	4.0973	4.0973
H7	2.2682	1.0783	3.3547	2.2112	3.4182	2.7376		4.4036	2.5760	2.5760	4.1283	4.1283
H8	2.2682	3.3547	1.0783	3.4182	2.2112	2.7376	4.4036		4.1283	4.1283	2.5760	2.5760
H9	3.1119	2.1644	3.1782	1.0931	2.2004	4.0973	2.5760	4.1283		1.7496	2.3633	2.9405
H10	3.1119	2.1644	3.1782	1.0931	2.2004	4.0973	2.5760	4.1283	1.7496		2.9405	2.3633
H11	3.1119	3.1782	2.1644	2.2004	1.0931	4.0973	4.1283	2.5760	2.3633	2.9405		1.7496
H12	3.1119	3.1782	2.1644	2.2004	1.0931	4.0973	4.1283	2.5760	2.9405	2.3633	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.364	C1	C2	H7	134.657
C1	C3	C5	109.364	C1	C3	H8	134.657
C2	C1	C3	112.666	C2	C1	H6	123.667
C2	C4	C5	104.303	C2	C4	H9	111.135
C2	C4	H10	111.135	C3	C1	H6	123.667
C3	C5	C4	104.303	C3	C5	H11	111.135
C3	C5	H12	111.135	C4	C2	H7	115.979
C4	C5	H11	112.037	C4	C5	H12	112.037
C5	C3	H8	115.979	C5	C4	H9	112.037
C5	C4	H10	112.037	H9	C4	H10	106.311
H11	C5	H12	106.311

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

using model chemistry: QCISD/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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All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: QCISD/cc-pVTZ

States and conformations

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