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	hartrees
Energy at 0K	-193.504689
Energy at 298.15K	-193.511846
HF Energy	-193.504689
Nuclear repulsion energy	161.274051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3155	7.82
2	A₁	3113	3095	12.66
3	A₁	2957	2941	28.96
4	A₁	1506	1498	5.08
5	A₁	1439	1431	0.24
6	A₁	1230	1223	0.79
7	A₁	1087	1081	3.26
8	A₁	988	983	0.03
9	A₁	864	859	3.59
10	A₁	800	795	0.07
11	A₂	2959	2943	0.00
12	A₂	1228	1221	0.00
13	A₂	976	971	0.00
14	A₂	586	582	0.00
15	A₂	134	134	0.00
16	B₁	2981	2965	44.51
17	B₁	1154	1148	1.03
18	B₁	933	928	5.35
19	B₁	792	788	0.32
20	B₁	583	580	61.41
21	B₁	419	417	11.69
22	B₂	3161	3143	10.09
23	B₂	2944	2928	31.46
24	B₂	1487	1479	0.86
25	B₂	1400	1392	5.93
26	B₂	1312	1305	0.79
27	B₂	1254	1247	10.32
28	B₂	1090	1084	0.76
29	B₂	870	865	11.25
30	B₂	721	717	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.280
C2	0.000	1.162	0.517
C3	0.000	-1.162	0.517
C4	0.000	0.788	-0.979
C5	0.000	-0.788	-0.979
H6	0.000	0.000	2.372
H7	0.000	2.227	0.734
H8	0.000	-2.227	0.734
H9	0.890	1.197	-1.493
H10	-0.890	1.197	-1.493
H11	0.890	-1.197	-1.493
H12	-0.890	-1.197	-1.493

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3899	1.3899	2.3926	2.3926	1.0917	2.2930	2.2930	3.1485	3.1485	3.1485	3.1485
C2	1.3899		2.3232	1.5416	2.4577	2.1886	1.0874	3.3957	2.1982	2.1982	3.2239	3.2239
C3	1.3899	2.3232		2.4577	1.5416	2.1886	3.3957	1.0874	3.2239	3.2239	2.1982	2.1982
C4	2.3926	1.5416	2.4577		1.5770	3.4422	2.2370	3.4682	1.1060	1.1060	2.2357	2.2357
C5	2.3926	2.4577	1.5416	1.5770		3.4422	3.4682	2.2370	2.2357	2.2357	1.1060	1.1060
H6	1.0917	2.1886	2.1886	3.4422	3.4422		2.7644	2.7644	4.1423	4.1423	4.1423	4.1423
H7	2.2930	1.0874	3.3957	2.2370	3.4682	2.7644		4.4542	2.6100	2.6100	4.1804	4.1804
H8	2.2930	3.3957	1.0874	3.4682	2.2370	2.7644	4.4542		4.1804	4.1804	2.6100	2.6100
H9	3.1485	2.1982	3.2239	1.1060	2.2357	4.1423	2.6100	4.1804		1.7803	2.3939	2.9833
H10	3.1485	2.1982	3.2239	1.1060	2.2357	4.1423	2.6100	4.1804	1.7803		2.9833	2.3939
H11	3.1485	3.2239	2.1982	2.2357	1.1060	4.1423	4.1804	2.6100	2.3939	2.9833		1.7803
H12	3.1485	3.2239	2.1982	2.2357	1.1060	4.1423	4.1804	2.6100	2.9833	2.3939	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.298	C1	C2	H7	135.171
C1	C3	C5	109.298	C1	C3	H8	135.171
C2	C1	C3	113.391	C2	C1	H6	123.304
C2	C4	C5	104.006	C2	C4	H9	111.182
C2	C4	H10	111.182	C3	C1	H6	123.304
C3	C5	C4	104.006	C3	C5	H11	111.182
C3	C5	H12	111.182	C4	C2	H7	115.530
C4	C5	H11	111.675	C4	C5	H12	111.675
C5	C3	H8	115.530	C5	C4	H9	111.675
C5	C4	H10	111.675	H9	C4	H10	107.195
H11	C5	H12	107.195

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

using model chemistry: BLYP/3-21G

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	-0.166
2	C	-0.146
3	C	-0.146
4	C	-0.382
5	C	-0.382
6	H	0.156
7	H	0.161
8	H	0.161
9	H	0.186
10	H	0.186
11	H	0.186
12	H	0.186

<r²>	101.643
(<r²>)^1/2	10.082

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

using model chemistry: BLYP/3-21G

States and conformations

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