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	hartrees
Energy at 0K	-193.618028
Energy at 298.15K	-193.625322
HF Energy	-193.618028
Nuclear repulsion energy	162.401419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3256	3141	7.18
2	A₁	3200	3088	9.35
3	A₁	3043	2936	26.04
4	A₁	1545	1491	6.08
5	A₁	1485	1433	0.08
6	A₁	1275	1230	1.22
7	A₁	1119	1080	3.32
8	A₁	1024	988	0.06
9	A₁	893	862	3.35
10	A₁	827	798	0.07
11	A₂	3050	2943	0.00
12	A₂	1268	1223	0.00
13	A₂	1009	973	0.00
14	A₂	622	600	0.00
15	A₂	134	129	0.00
16	B₁	3072	2964	39.02
17	B₁	1191	1149	1.19
18	B₁	973	939	5.64
19	B₁	817	788	0.79
20	B₁	608	586	69.67
21	B₁	433	418	10.35
22	B₂	3244	3130	7.28
23	B₂	3030	2924	28.62
24	B₂	1524	1470	1.39
25	B₂	1432	1381	7.94
26	B₂	1353	1305	1.27
27	B₂	1295	1249	9.54
28	B₂	1112	1073	0.74
29	B₂	897	866	12.17
30	B₂	744	718	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.272
C2	0.000	1.153	0.513
C3	0.000	-1.153	0.513
C4	0.000	0.782	-0.973
C5	0.000	-0.782	-0.973
H6	0.000	0.000	2.356
H7	0.000	2.210	0.733
H8	0.000	-2.210	0.733
H9	0.884	1.188	-1.482
H10	-0.884	1.188	-1.482
H11	0.884	-1.188	-1.482
H12	-0.884	-1.188	-1.482

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3806	1.3806	2.3777	2.3777	1.0841	2.2751	2.2751	3.1271	3.1271	3.1271	3.1271
C2	1.3806		2.3057	1.5312	2.4398	2.1744	1.0803	3.3705	2.1822	2.1822	3.2000	3.2000
C3	1.3806	2.3057		2.4398	1.5312	2.1744	3.3705	1.0803	3.2000	3.2000	2.1822	2.1822
C4	2.3777	1.5312	2.4398		1.5649	3.4201	2.2250	3.4450	1.0980	1.0980	2.2188	2.2188
C5	2.3777	2.4398	1.5312	1.5649		3.4201	3.4450	2.2250	2.2188	2.2188	1.0980	1.0980
H6	1.0841	2.1744	2.1744	3.4201	3.4201		2.7423	2.7423	4.1141	4.1141	4.1141	4.1141
H7	2.2751	1.0803	3.3705	2.2250	3.4450	2.7423		4.4207	2.5952	2.5952	4.1518	4.1518
H8	2.2751	3.3705	1.0803	3.4450	2.2250	2.7423	4.4207		4.1518	4.1518	2.5952	2.5952
H9	3.1271	2.1822	3.2000	1.0980	2.2188	4.1141	2.5952	4.1518		1.7690	2.3756	2.9619
H10	3.1271	2.1822	3.2000	1.0980	2.2188	4.1141	2.5952	4.1518	1.7690		2.9619	2.3756
H11	3.1271	3.2000	2.1822	2.2188	1.0980	4.1141	4.1518	2.5952	2.3756	2.9619		1.7690
H12	3.1271	3.2000	2.1822	2.2188	1.0980	4.1141	4.1518	2.5952	2.9619	2.3756	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.378	C1	C2	H7	134.840
C1	C3	C5	109.378	C1	C3	H8	134.840
C2	C1	C3	113.245	C2	C1	H6	123.378
C2	C4	C5	104.000	C2	C4	H9	111.126
C2	C4	H10	111.126	C3	C1	H6	123.378
C3	C5	C4	104.000	C3	C5	H11	111.126
C3	C5	H12	111.126	C4	C2	H7	115.782
C4	C5	H11	111.666	C4	C5	H12	111.666
C5	C3	H8	115.782	C5	C4	H9	111.666
C5	C4	H10	111.666	H9	C4	H10	107.321
H11	C5	H12	107.321

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

using model chemistry: B3LYP/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	-0.186
2	C	-0.169
3	C	-0.169
4	C	-0.413
5	C	-0.413
6	H	0.180
7	H	0.183
8	H	0.183
9	H	0.201
10	H	0.201
11	H	0.201
12	H	0.201

<r²>	100.454
(<r²>)^1/2	10.023

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

using model chemistry: B3LYP/3-21G

States and conformations

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