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	hartrees
Energy at 0K	-194.190620
Energy at 298.15K	-194.197831
HF Energy	-193.392381
Nuclear repulsion energy	163.275452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3278	3106	7.28
2	A₁	3226	3056	8.55
3	A₁	3076	2914	31.83
4	A₁	1527	1446	2.23
5	A₁	1508	1429	0.15
6	A₁	1314	1245	0.17
7	A₁	1119	1061	2.42
8	A₁	1057	1002	0.04
9	A₁	934	885	1.82
10	A₁	816	773	0.24
11	A₂	3090	2927	0.00
12	A₂	1257	1190	0.00
13	A₂	1010	957	0.00
14	A₂	612	580	0.00
15	A₂	94	89	0.00
16	B₁	3109	2946	39.29
17	B₁	1161	1100	2.62
18	B₁	964	913	4.47
19	B₁	818	775	1.89
20	B₁	610	578	45.22
21	B₁	413	391	6.90
22	B₂	3267	3095	5.88
23	B₂	3063	2902	28.37
24	B₂	1503	1424	0.32
25	B₂	1428	1353	3.62
26	B₂	1333	1263	3.33
27	B₂	1326	1256	1.55
28	B₂	1095	1038	0.74
29	B₂	931	882	10.36
30	B₂	724	686	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.269
C2	0.000	1.147	0.506
C3	0.000	-1.147	0.506
C4	0.000	0.773	-0.965
C5	0.000	-0.773	-0.965
H6	0.000	0.000	2.354
H7	0.000	2.205	0.724
H8	0.000	-2.205	0.724
H9	0.876	1.185	-1.478
H10	-0.876	1.185	-1.478
H11	0.876	-1.185	-1.478
H12	-0.876	-1.185	-1.478

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3778	1.3778	2.3642	2.3642	1.0843	2.2714	2.2714	3.1180	3.1180	3.1180	3.1180
C2	1.3778		2.2940	1.5177	2.4187	2.1747	1.0803	3.3591	2.1695	2.1695	3.1850	3.1850
C3	1.3778	2.2940		2.4187	1.5177	2.1747	3.3591	1.0803	3.1850	3.1850	2.1695	2.1695
C4	2.3642	1.5177	2.4187		1.5462	3.4074	2.2145	3.4238	1.0958	1.0958	2.2058	2.2058
C5	2.3642	2.4187	1.5177	1.5462		3.4074	3.4238	2.2145	2.2058	2.2058	1.0958	1.0958
H6	1.0843	2.1747	2.1747	3.4074	3.4074		2.7417	2.7417	4.1057	4.1057	4.1057	4.1057
H7	2.2714	1.0803	3.3591	2.2145	3.4238	2.7417		4.4101	2.5807	2.5807	4.1367	4.1367
H8	2.2714	3.3591	1.0803	3.4238	2.2145	2.7417	4.4101		4.1367	4.1367	2.5807	2.5807
H9	3.1180	2.1695	3.1850	1.0958	2.2058	4.1057	2.5807	4.1367		1.7520	2.3701	2.9474
H10	3.1180	2.1695	3.1850	1.0958	2.2058	4.1057	2.5807	4.1367	1.7520		2.9474	2.3701
H11	3.1180	3.1850	2.1695	2.2058	1.0958	4.1057	4.1367	2.5807	2.3701	2.9474		1.7520
H12	3.1180	3.1850	2.1695	2.2058	1.0958	4.1057	4.1367	2.5807	2.9474	2.3701	1.7520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.379	C1	C2	H7	134.698
C1	C3	C5	109.379	C1	C3	H8	134.698
C2	C1	C3	112.715	C2	C1	H6	123.642
C2	C4	C5	104.263	C2	C4	H9	111.198
C2	C4	H10	111.198	C3	C1	H6	123.642
C3	C5	C4	104.263	C3	C5	H11	111.198
C3	C5	H12	111.198	C4	C2	H7	115.923
C4	C5	H11	112.083	C4	C5	H12	112.083
C5	C3	H8	115.923	C5	C4	H9	112.083
C5	C4	H10	112.083	H9	C4	H10	106.143
H11	C5	H12	106.143

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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