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	hartrees
Energy at 0K	-194.090427
Energy at 298.15K	-194.097557
HF Energy	-193.384669
Nuclear repulsion energy	162.062776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3122	9.34
2	A₁	3208	3078	9.15
3	A₁	3052	2928	39.82
4	A₁	1503	1442	0.06
5	A₁	1491	1431	3.29
6	A₁	1307	1254	0.08
7	A₁	1101	1056	2.67
8	A₁	1054	1011	0.02
9	A₁	930	893	2.30
10	A₁	811	778	0.16
11	A₂	3068	2943	0.00
12	A₂	1235	1185	0.00
13	A₂	995	954	0.00
14	A₂	596	572	0.00
15	A₂	77	74	0.00
16	B₁	3087	2962	49.52
17	B₁	1144	1098	2.57
18	B₁	938	900	5.80
19	B₁	807	774	1.87
20	B₁	594	570	47.23
21	B₁	400	384	7.73
22	B₂	3242	3111	8.43
23	B₂	3037	2913	35.75
24	B₂	1467	1408	0.33
25	B₂	1426	1368	2.04
26	B₂	1331	1276	4.06
27	B₂	1304	1251	0.89
28	B₂	1072	1029	1.18
29	B₂	925	888	10.99
30	B₂	722	693	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.280
C2	0.000	1.156	0.508
C3	0.000	-1.156	0.508
C4	0.000	0.776	-0.970
C5	0.000	-0.776	-0.970
H6	0.000	0.000	2.377
H7	0.000	2.229	0.719
H8	0.000	-2.229	0.719
H9	0.886	1.192	-1.489
H10	-0.886	1.192	-1.489
H11	0.886	-1.192	-1.489
H12	-0.886	-1.192	-1.489

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3905	1.3905	2.3794	2.3794	1.0969	2.2987	2.2987	3.1418	3.1418	3.1418	3.1418
C2	1.3905		2.3129	1.5256	2.4323	2.1978	1.0935	3.3923	2.1846	2.1846	3.2074	3.2074
C3	1.3905	2.3129		2.4323	1.5256	2.1978	3.3923	1.0935	3.2074	3.2074	2.1846	2.1846
C4	2.3794	1.5256	2.4323		1.5516	3.4351	2.2282	3.4471	1.1081	1.1081	2.2198	2.2198
C5	2.3794	2.4323	1.5256	1.5516		3.4351	3.4471	2.2282	2.2198	2.2198	1.1081	1.1081
H6	1.0969	2.1978	2.1978	3.4351	3.4351		2.7779	2.7779	4.1410	4.1410	4.1410	4.1410
H7	2.2987	1.0935	3.3923	2.2282	3.4471	2.7779		4.4586	2.5953	2.5953	4.1674	4.1674
H8	2.2987	3.3923	1.0935	3.4471	2.2282	2.7779	4.4586		4.1674	4.1674	2.5953	2.5953
H9	3.1418	2.1846	3.2074	1.1081	2.2198	4.1410	2.5953	4.1674		1.7720	2.3845	2.9708
H10	3.1418	2.1846	3.2074	1.1081	2.2198	4.1410	2.5953	4.1674	1.7720		2.9708	2.3845
H11	3.1418	3.2074	2.1846	2.2198	1.1081	4.1410	4.1674	2.5953	2.3845	2.9708		1.7720
H12	3.1418	3.2074	2.1846	2.2198	1.1081	4.1410	4.1674	2.5953	2.9708	2.3845	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.278	C1	C2	H7	135.122
C1	C3	C5	109.278	C1	C3	H8	135.122
C2	C1	C3	112.547	C2	C1	H6	123.726
C2	C4	C5	104.449	C2	C4	H9	111.094
C2	C4	H10	111.094	C3	C1	H6	123.726
C3	C5	C4	104.449	C3	C5	H11	111.094
C3	C5	H12	111.094	C4	C2	H7	115.600
C4	C5	H11	112.075	C4	C5	H12	112.075
C5	C3	H8	115.600	C5	C4	H9	112.075
C5	C4	H10	112.075	H9	C4	H10	106.173
H11	C5	H12	106.173

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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