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	hartrees
Energy at 0K	-194.575165
Energy at 298.15K	-194.582360
HF Energy	-194.575165
Nuclear repulsion energy	163.516937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3100	5.65
2	A₁	3214	3044	10.13
3	A₁	3063	2900	30.31
4	A₁	1528	1447	0.23
5	A₁	1518	1437	3.26
6	A₁	1310	1240	0.30
7	A₁	1122	1062	2.91
8	A₁	1057	1001	0.01
9	A₁	935	885	2.90
10	A₁	813	770	0.28
11	A₂	3078	2915	0.00
12	A₂	1239	1174	0.00
13	A₂	1001	948	0.00
14	A₂	639	605	0.00
15	A₂	89	84	0.00
16	B₁	3095	2931	39.52
17	B₁	1152	1091	2.35
18	B₁	968	917	3.62
19	B₁	811	768	2.23
20	B₁	629	596	52.10
21	B₁	423	401	7.17
22	B₂	3263	3090	9.51
23	B₂	3052	2890	31.88
24	B₂	1495	1415	0.14
25	B₂	1418	1343	12.63
26	B₂	1328	1258	0.31
27	B₂	1313	1243	2.85
28	B₂	1080	1023	0.01
29	B₂	928	879	12.20
30	B₂	725	686	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.266
C2	0.000	1.145	0.504
C3	0.000	-1.145	0.504
C4	0.000	0.772	-0.962
C5	0.000	-0.772	-0.962
H6	0.000	0.000	2.353
H7	0.000	2.204	0.724
H8	0.000	-2.204	0.724
H9	0.877	1.185	-1.478
H10	-0.877	1.185	-1.478
H11	0.877	-1.185	-1.478
H12	-0.877	-1.185	-1.478

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3753	1.3753	2.3581	2.3581	1.0863	2.2701	2.2701	3.1148	3.1148	3.1148	3.1148
C2	1.3753		2.2894	1.5126	2.4128	2.1744	1.0823	3.3563	2.1674	2.1674	3.1815	3.1815
C3	1.3753	2.2894		2.4128	1.5126	2.1744	3.3563	1.0823	3.1815	3.1815	2.1674	2.1674
C4	2.3581	1.5126	2.4128		1.5436	3.4032	2.2124	3.4205	1.0978	1.0978	2.2051	2.2051
C5	2.3581	2.4128	1.5126	1.5436		3.4032	3.4205	2.2124	2.2051	2.2051	1.0978	1.0978
H6	1.0863	2.1744	2.1744	3.4032	3.4032		2.7408	2.7408	4.1042	4.1042	4.1042	4.1042
H7	2.2701	1.0823	3.3563	2.2124	3.4205	2.7408		4.4088	2.5801	2.5801	4.1355	4.1355
H8	2.2701	3.3563	1.0823	3.4205	2.2124	2.7408	4.4088		4.1355	4.1355	2.5801	2.5801
H9	3.1148	2.1674	3.1815	1.0978	2.2051	4.1042	2.5801	4.1355		1.7533	2.3693	2.9475
H10	3.1148	2.1674	3.1815	1.0978	2.2051	4.1042	2.5801	4.1355	1.7533		2.9475	2.3693
H11	3.1148	3.1815	2.1674	2.2051	1.0978	4.1042	4.1355	2.5801	2.3693	2.9475		1.7533
H12	3.1148	3.1815	2.1674	2.2051	1.0978	4.1042	4.1355	2.5801	2.9475	2.3693	1.7533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.388	C1	C2	H7	134.608
C1	C3	C5	109.388	C1	C3	H8	134.608
C2	C1	C3	112.678	C2	C1	H6	123.661
C2	C4	C5	104.273	C2	C4	H9	111.270
C2	C4	H10	111.270	C3	C1	H6	123.661
C3	C5	C4	104.273	C3	C5	H11	111.270
C3	C5	H12	111.270	C4	C2	H7	116.004
C4	C5	H11	112.090	C4	C5	H12	112.090
C5	C3	H8	116.004	C5	C4	H9	112.090
C5	C4	H10	112.090	H9	C4	H10	105.985
H11	C5	H12	105.985

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

using model chemistry: M06-2X/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	-0.126
2	C	-0.163
3	C	-0.163
4	C	-0.351
5	C	-0.351
6	H	0.159
7	H	0.164
8	H	0.164
9	H	0.166
10	H	0.166
11	H	0.166
12	H	0.166

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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