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	hartrees
Energy at 0K	-194.037360
Energy at 298.15K	-194.044575
HF Energy	-193.385225
Nuclear repulsion energy	163.023187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3133	7.17
2	A₁	3243	3082	7.68
3	A₁	3082	2929	32.14
4	A₁	1542	1466	0.08
5	A₁	1485	1411	4.31
6	A₁	1300	1236	0.31
7	A₁	1123	1067	3.70
8	A₁	1066	1013	0.08
9	A₁	943	896	3.16
10	A₁	821	780	0.20
11	A₂	3111	2956	0.00
12	A₂	1232	1171	0.00
13	A₂	998	948	0.00
14	A₂	648	616	0.00
15	A₂	69	65	0.00
16	B₁	3129	2974	35.60
17	B₁	1150	1093	3.67
18	B₁	1007	957	4.32
19	B₁	814	774	3.99
20	B₁	636	605	53.09
21	B₁	426	405	7.82
22	B₂	3283	3121	4.03
23	B₂	3069	2917	31.41
24	B₂	1459	1387	0.75
25	B₂	1402	1332	6.23
26	B₂	1319	1253	1.51
27	B₂	1297	1233	3.78
28	B₂	1065	1012	0.41
29	B₂	923	877	17.72
30	B₂	724	689	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.146	0.506
C3	0.000	-1.146	0.506
C4	0.000	0.773	-0.965
C5	0.000	-0.773	-0.965
H6	0.000	0.000	2.363
H7	0.000	2.214	0.728
H8	0.000	-2.214	0.728
H9	0.883	1.190	-1.481
H10	-0.883	1.190	-1.481
H11	0.883	-1.190	-1.481
H12	-0.883	-1.190	-1.481

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3767	1.3767	2.3630	2.3630	1.0944	2.2790	2.2790	3.1237	3.1237	3.1237	3.1237
C2	1.3767		2.2929	1.5177	2.4182	2.1820	1.0903	3.3678	2.1754	2.1754	3.1924	3.1924
C3	1.3767	2.2929		2.4182	1.5177	2.1820	3.3678	1.0903	3.1924	3.1924	2.1754	2.1754
C4	2.3630	1.5177	2.4182		1.5457	3.4160	2.2229	3.4330	1.1051	1.1051	2.2139	2.2139
C5	2.3630	2.4182	1.5177	1.5457		3.4160	3.4330	2.2229	2.2139	2.2139	1.1051	1.1051
H6	1.0944	2.1820	2.1820	3.4160	3.4160		2.7523	2.7523	4.1199	4.1199	4.1199	4.1199
H7	2.2790	1.0903	3.3678	2.2229	3.4330	2.7523		4.4280	2.5899	2.5899	4.1533	4.1533
H8	2.2790	3.3678	1.0903	3.4330	2.2229	2.7523	4.4280		4.1533	4.1533	2.5899	2.5899
H9	3.1237	2.1754	3.1924	1.1051	2.2139	4.1199	2.5899	4.1533		1.7665	2.3807	2.9646
H10	3.1237	2.1754	3.1924	1.1051	2.2139	4.1199	2.5899	4.1533	1.7665		2.9646	2.3807
H11	3.1237	3.1924	2.1754	2.2139	1.1051	4.1199	4.1533	2.5899	2.3807	2.9646		1.7665
H12	3.1237	3.1924	2.1754	2.2139	1.1051	4.1199	4.1533	2.5899	2.9646	2.3807	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.362	C1	C2	H7	134.664
C1	C3	C5	109.362	C1	C3	H8	134.664
C2	C1	C3	112.773	C2	C1	H6	123.614
C2	C4	C5	104.252	C2	C4	H9	111.101
C2	C4	H10	111.101	C3	C1	H6	123.614
C3	C5	C4	104.252	C3	C5	H11	111.101
C3	C5	H12	111.101	C4	C2	H7	115.974
C4	C5	H11	112.198	C4	C5	H12	112.198
C5	C3	H8	115.974	C5	C4	H9	112.198
C5	C4	H10	112.198	H9	C4	H10	106.117
H11	C5	H12	106.117

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

using model chemistry: MP2=FULL/cc-pVDZ

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: MP2=FULL/cc-pVDZ

States and conformations

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