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	hartrees
Energy at 0K	-193.348851
Energy at 298.15K	-193.356013
HF Energy	-193.348851
Nuclear repulsion energy	161.732539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3159	6.61
2	A₁	3130	3102	9.11
3	A₁	2969	2942	22.18
4	A₁	1491	1477	8.58
5	A₁	1443	1430	0.28
6	A₁	1232	1220	1.90
7	A₁	1090	1080	3.94
8	A₁	1010	1001	0.10
9	A₁	886	878	4.78
10	A₁	808	800	0.11
11	A₂	2980	2953	0.00
12	A₂	1223	1212	0.00
13	A₂	966	957	0.00
14	A₂	592	587	0.00
15	A₂	126	125	0.00
16	B₁	3001	2974	31.75
17	B₁	1155	1144	0.98
18	B₁	931	922	6.56
19	B₁	787	780	0.41
20	B₁	586	581	73.34
21	B₁	419	415	12.46
22	B₂	3176	3147	6.32
23	B₂	2956	2929	26.80
24	B₂	1470	1456	1.60
25	B₂	1404	1391	7.83
26	B₂	1302	1291	0.59
27	B₂	1261	1250	13.16
28	B₂	1088	1079	0.55
29	B₂	889	881	13.92
30	B₂	724	718	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.277
C2	0.000	1.159	0.512
C3	0.000	-1.159	0.512
C4	0.000	0.783	-0.974
C5	0.000	-0.783	-0.974
H6	0.000	0.000	2.370
H7	0.000	2.226	0.729
H8	0.000	-2.226	0.729
H9	0.891	1.193	-1.488
H10	-0.891	1.193	-1.488
H11	0.891	-1.193	-1.488
H12	-0.891	-1.193	-1.488

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3885	1.3885	2.3835	2.3835	1.0931	2.2927	2.2927	3.1411	3.1411	3.1411	3.1411
C2	1.3885		2.3176	1.5327	2.4455	2.1898	1.0891	3.3919	2.1907	2.1907	3.2136	3.2136
C3	1.3885	2.3176		2.4455	1.5327	2.1898	3.3919	1.0891	3.2136	3.2136	2.1907	2.1907
C4	2.3835	1.5327	2.4455		1.5669	3.4347	2.2316	3.4578	1.1078	1.1078	2.2282	2.2282
C5	2.3835	2.4455	1.5327	1.5669		3.4347	3.4578	2.2316	2.2282	2.2282	1.1078	1.1078
H6	1.0931	2.1898	2.1898	3.4347	3.4347		2.7660	2.7660	4.1362	4.1362	4.1362	4.1362
H7	2.2927	1.0891	3.3919	2.2316	3.4578	2.7660		4.4523	2.6036	2.6036	4.1713	4.1713
H8	2.2927	3.3919	1.0891	3.4578	2.2316	2.7660	4.4523		4.1713	4.1713	2.6036	2.6036
H9	3.1411	2.1907	3.2136	1.1078	2.2282	4.1362	2.6036	4.1713		1.7829	2.3855	2.9781
H10	3.1411	2.1907	3.2136	1.1078	2.2282	4.1362	2.6036	4.1713	1.7829		2.9781	2.3855
H11	3.1411	3.2136	2.1907	2.2282	1.1078	4.1362	4.1713	2.6036	2.3855	2.9781		1.7829
H12	3.1411	3.2136	2.1907	2.2282	1.1078	4.1362	4.1713	2.6036	2.9781	2.3855	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.256	C1	C2	H7	135.104
C1	C3	C5	109.256	C1	C3	H8	135.104
C2	C1	C3	113.139	C2	C1	H6	123.431
C2	C4	C5	104.175	C2	C4	H9	111.103
C2	C4	H10	111.103	C3	C1	H6	123.431
C3	C5	C4	104.175	C3	C5	H11	111.103
C3	C5	H12	111.103	C4	C2	H7	115.640
C4	C5	H11	111.682	C4	C5	H12	111.682
C5	C3	H8	115.640	C5	C4	H9	111.682
C5	C4	H10	111.682	H9	C4	H10	107.168
H11	C5	H12	107.168

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

using model chemistry: PBEPBE/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	-0.200
2	C	-0.177
3	C	-0.177
4	C	-0.445
5	C	-0.445
6	H	0.189
7	H	0.194
8	H	0.194
9	H	0.217
10	H	0.217
11	H	0.217
12	H	0.217

<r²>	101.023
(<r²>)^1/2	10.051

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

using model chemistry: PBEPBE/3-21G

States and conformations

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