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	hartrees
Energy at 0K	-194.635265
Energy at 298.15K	-194.642603
HF Energy	-194.635265
Nuclear repulsion energy	162.563731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3259	3135	10.73
2	A₁	3203	3081	14.22
3	A₁	3025	2910	40.72
4	A₁	1538	1479	4.69
5	A₁	1502	1445	0.74
6	A₁	1293	1243	0.62
7	A₁	1127	1084	2.97
8	A₁	1047	1007	0.06
9	A₁	915	881	3.81
10	A₁	827	796	0.16
11	A₂	3029	2914	0.00
12	A₂	1249	1201	0.00
13	A₂	1026	987	0.00
14	A₂	634	610	0.00
15	A₂	139	134	0.00
16	B₁	3052	2936	60.65
17	B₁	1165	1121	1.80
18	B₁	980	943	4.19
19	B₁	835	803	0.74
20	B₁	619	596	63.14
21	B₁	440	423	8.44
22	B₂	3247	3124	15.09
23	B₂	3010	2896	42.01
24	B₂	1519	1461	0.99
25	B₂	1450	1395	4.53
26	B₂	1354	1302	0.36
27	B₂	1323	1273	8.26
28	B₂	1118	1075	0.80
29	B₂	923	888	12.79
30	B₂	743	714	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.274
C2	0.000	1.153	0.509
C3	0.000	-1.153	0.509
C4	0.000	0.778	-0.968
C5	0.000	-0.778	-0.968
H6	0.000	0.000	2.360
H7	0.000	2.213	0.726
H8	0.000	-2.213	0.726
H9	0.878	1.191	-1.487
H10	-0.878	1.191	-1.487
H11	0.878	-1.191	-1.487
H12	-0.878	-1.191	-1.487

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3834	1.3834	2.3734	2.3734	1.0860	2.2802	2.2802	3.1325	3.1325	3.1325	3.1325
C2	1.3834		2.3056	1.5242	2.4314	2.1804	1.0824	3.3731	2.1814	2.1814	3.2013	3.2013
C3	1.3834	2.3056		2.4314	1.5242	2.1804	3.3731	1.0824	3.2013	3.2013	2.1814	2.1814
C4	2.3734	1.5242	2.4314		1.5565	3.4180	2.2201	3.4379	1.1002	1.1002	2.2174	2.2174
C5	2.3734	2.4314	1.5242	1.5565		3.4180	3.4379	2.2201	2.2174	2.2174	1.1002	1.1002
H6	1.0860	2.1804	2.1804	3.4180	3.4180		2.7513	2.7513	4.1218	4.1218	4.1218	4.1218
H7	2.2802	1.0824	3.3731	2.2201	3.4379	2.7513		4.4266	2.5912	2.5912	4.1539	4.1539
H8	2.2802	3.3731	1.0824	3.4379	2.2201	2.7513	4.4266		4.1539	4.1539	2.5912	2.5912
H9	3.1325	2.1814	3.2013	1.1002	2.2174	4.1218	2.5912	4.1539		1.7563	2.3812	2.9588
H10	3.1325	2.1814	3.2013	1.1002	2.2174	4.1218	2.5912	4.1539	1.7563		2.9588	2.3812
H11	3.1325	3.2013	2.1814	2.2174	1.1002	4.1218	4.1539	2.5912	2.3812	2.9588		1.7563
H12	3.1325	3.2013	2.1814	2.2174	1.1002	4.1218	4.1539	2.5912	2.9588	2.3812	1.7563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.333	C1	C2	H7	134.905
C1	C3	C5	109.333	C1	C3	H8	134.905
C2	C1	C3	112.883	C2	C1	H6	123.558
C2	C4	C5	104.225	C2	C4	H9	111.416
C2	C4	H10	111.416	C3	C1	H6	123.558
C3	C5	C4	104.225	C3	C5	H11	111.416
C3	C5	H12	111.416	C4	C2	H7	115.761
C4	C5	H11	112.012	C4	C5	H12	112.012
C5	C3	H8	115.761	C5	C4	H9	112.012
C5	C4	H10	112.012	H9	C4	H10	105.905
H11	C5	H12	105.905

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

using model chemistry: B3LYP/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	-0.075
2	C	-0.131
3	C	-0.131
4	C	-0.304
5	C	-0.304
6	H	0.126
7	H	0.130
8	H	0.130
9	H	0.140
10	H	0.140
11	H	0.140
12	H	0.140

<r²>	100.296
(<r²>)^1/2	10.015

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

using model chemistry: B3LYP/6-31G

States and conformations

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