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	hartrees
Energy at 0K	-194.611135
Energy at 298.15K	-194.618348
HF Energy	-194.611135
Nuclear repulsion energy	163.384633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3254	3113	8.02
2	A₁	3197	3059	14.92
3	A₁	3036	2905	38.81
4	A₁	1517	1452	2.04
5	A₁	1507	1442	2.19
6	A₁	1303	1247	0.32
7	A₁	1115	1066	3.08
8	A₁	1054	1008	0.01
9	A₁	928	888	3.32
10	A₁	811	776	0.28
11	A₂	3045	2913	0.00
12	A₂	1238	1184	0.00
13	A₂	998	955	0.00
14	A₂	606	580	0.00
15	A₂	120	115	0.00
16	B₁	3065	2932	49.96
17	B₁	1153	1103	1.78
18	B₁	953	912	4.36
19	B₁	816	780	0.93
20	B₁	603	577	53.55
21	B₁	423	405	9.05
22	B₂	3245	3104	13.32
23	B₂	3023	2892	38.69
24	B₂	1492	1428	0.32
25	B₂	1448	1385	3.63
26	B₂	1334	1276	5.49
27	B₂	1314	1257	2.74
28	B₂	1094	1047	0.84
29	B₂	929	889	13.79
30	B₂	723	692	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.267
C2	0.000	1.146	0.504
C3	0.000	-1.146	0.504
C4	0.000	0.772	-0.961
C5	0.000	-0.772	-0.961
H6	0.000	0.000	2.356
H7	0.000	2.208	0.723
H8	0.000	-2.208	0.723
H9	0.877	1.187	-1.480
H10	-0.877	1.187	-1.480
H11	0.877	-1.187	-1.480
H12	-0.877	-1.187	-1.480

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3774	1.3774	2.3582	2.3582	1.0884	2.2743	2.2743	3.1185	3.1185	3.1185	3.1185
C2	1.3774		2.2929	1.5118	2.4137	2.1780	1.0841	3.3618	2.1694	2.1694	3.1855	3.1855
C3	1.3774	2.2929		2.4137	1.5118	2.1780	3.3618	1.0841	3.1855	3.1855	2.1694	2.1694
C4	2.3582	1.5118	2.4137		1.5440	3.4052	2.2131	3.4230	1.1000	1.1000	2.2078	2.2078
C5	2.3582	2.4137	1.5118	1.5440		3.4052	3.4230	2.2131	2.2078	2.2078	1.1000	1.1000
H6	1.0884	2.1780	2.1780	3.4052	3.4052		2.7463	2.7463	4.1098	4.1098	4.1098	4.1098
H7	2.2743	1.0841	3.3618	2.2131	3.4230	2.7463		4.4164	2.5818	2.5818	4.1408	4.1408
H8	2.2743	3.3618	1.0841	3.4230	2.2131	2.7463	4.4164		4.1408	4.1408	2.5818	2.5818
H9	3.1185	2.1694	3.1855	1.1000	2.2078	4.1098	2.5818	4.1408		1.7532	2.3731	2.9505
H10	3.1185	2.1694	3.1855	1.1000	2.2078	4.1098	2.5818	4.1408	1.7532		2.9505	2.3731
H11	3.1185	3.1855	2.1694	2.2078	1.1000	4.1098	4.1408	2.5818	2.3731	2.9505		1.7532
H12	3.1185	3.1855	2.1694	2.2078	1.1000	4.1098	4.1408	2.5818	2.9505	2.3731	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.324	C1	C2	H7	134.681
C1	C3	C5	109.324	C1	C3	H8	134.681
C2	C1	C3	112.675	C2	C1	H6	123.663
C2	C4	C5	104.339	C2	C4	H9	111.351
C2	C4	H10	111.351	C3	C1	H6	123.663
C3	C5	C4	104.339	C3	C5	H11	111.351
C3	C5	H12	111.351	C4	C2	H7	115.996
C4	C5	H11	112.140	C4	C5	H12	112.140
C5	C3	H8	115.996	C5	C4	H9	112.140
C5	C4	H10	112.140	H9	C4	H10	105.673
H11	C5	H12	105.673

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

using model chemistry: B3PW91/6-31G*

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	-0.118
2	C	-0.166
3	C	-0.166
4	C	-0.360
5	C	-0.360
6	H	0.156
7	H	0.163
8	H	0.163
9	H	0.173
10	H	0.173
11	H	0.173
12	H	0.173

<r²>	99.207
(<r²>)^1/2	9.960

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

using model chemistry: B3PW91/6-31G*

States and conformations

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