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	hartrees
Energy at 0K	-193.392684
Energy at 298.15K	-193.400064
HF Energy	-193.392684
Nuclear repulsion energy	163.632296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3370	3052	12.84
2	A₁	3322	3008	14.44
3	A₁	3167	2868	61.34
4	A₁	1624	1470	0.76
5	A₁	1569	1420	0.00
6	A₁	1406	1273	0.00
7	A₁	1159	1049	1.51
8	A₁	1088	985	0.30
9	A₁	962	871	0.67
10	A₁	856	775	0.13
11	A₂	3169	2870	0.00
12	A₂	1345	1218	0.00
13	A₂	1080	978	0.00
14	A₂	608	550	0.00
15	A₂	116	105	0.00
16	B₁	3194	2892	77.67
17	B₁	1232	1115	2.74
18	B₁	987	893	5.90
19	B₁	870	788	1.53
20	B₁	617	559	45.05
21	B₁	419	380	7.13
22	B₂	3359	3042	19.07
23	B₂	3150	2852	48.08
24	B₂	1597	1446	0.02
25	B₂	1511	1369	3.24
26	B₂	1423	1288	0.64
27	B₂	1416	1282	1.46
28	B₂	1143	1035	0.66
29	B₂	958	867	6.25
30	B₂	766	694	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.270
C2	0.000	1.145	0.506
C3	0.000	-1.145	0.506
C4	0.000	0.772	-0.965
C5	0.000	-0.772	-0.965
H6	0.000	0.000	2.346
H7	0.000	2.196	0.722
H8	0.000	-2.196	0.722
H9	0.870	1.180	-1.474
H10	-0.870	1.180	-1.474
H11	0.870	-1.180	-1.474
H12	-0.870	-1.180	-1.474

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3766	1.3766	2.3644	2.3644	1.0763	2.2630	2.2630	3.1112	3.1112	3.1112	3.1112
C2	1.3766		2.2900	1.5172	2.4159	2.1677	1.0727	3.3476	2.1631	2.1631	3.1751	3.1751
C3	1.3766	2.2900		2.4159	1.5172	2.1677	3.3476	1.0727	3.1751	3.1751	2.1631	2.1631
C4	2.3644	1.5172	2.4159		1.5435	3.3999	2.2075	3.4133	1.0878	1.0878	2.1966	2.1966
C5	2.3644	2.4159	1.5172	1.5435		3.3999	3.4133	2.2075	2.1966	2.1966	1.0878	1.0878
H6	1.0763	2.1677	2.1677	3.3999	3.3999		2.7311	2.7311	4.0921	4.0921	4.0921	4.0921
H7	2.2630	1.0727	3.3476	2.2075	3.4133	2.7311		4.3912	2.5716	2.5716	4.1198	4.1198
H8	2.2630	3.3476	1.0727	3.4133	2.2075	2.7311	4.3912		4.1198	4.1198	2.5716	2.5716
H9	3.1112	2.1631	3.1751	1.0878	2.1966	4.0921	2.5716	4.1198		1.7409	2.3592	2.9320
H10	3.1112	2.1631	3.1751	1.0878	2.1966	4.0921	2.5716	4.1198	1.7409		2.9320	2.3592
H11	3.1112	3.1751	2.1631	2.1966	1.0878	4.0921	4.1198	2.5716	2.3592	2.9320		1.7409
H12	3.1112	3.1751	2.1631	2.1966	1.0878	4.0921	4.1198	2.5716	2.9320	2.3592	1.7409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.483	C1	C2	H7	134.644
C1	C3	C5	109.483	C1	C3	H8	134.644
C2	C1	C3	112.553	C2	C1	H6	123.723
C2	C4	C5	104.240	C2	C4	H9	111.196
C2	C4	H10	111.196	C3	C1	H6	123.723
C3	C5	C4	104.240	C3	C5	H11	111.196
C3	C5	H12	111.196	C4	C2	H7	115.873
C4	C5	H11	112.018	C4	C5	H12	112.018
C5	C3	H8	115.873	C5	C4	H9	112.018
C5	C4	H10	112.018	H9	C4	H10	106.293
H11	C5	H12	106.293

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

using model chemistry: HF/6-31G(2df,p)

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	-0.115
2	C	-0.150
3	C	-0.150
4	C	-0.260
5	C	-0.260
6	H	0.137
7	H	0.145
8	H	0.145
9	H	0.127
10	H	0.127
11	H	0.127
12	H	0.127

<r²>	99.297
(<r²>)^1/2	9.965

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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