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	hartrees
Energy at 0K	-193.437284
Energy at 298.15K	-193.444681
HF Energy	-193.437284
Nuclear repulsion energy	163.895327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3359	3359	12.19
2	A₁	3313	3313	12.09
3	A₁	3159	3159	65.01
4	A₁	1622	1622	2.32
5	A₁	1569	1569	0.00
6	A₁	1405	1405	0.03
7	A₁	1157	1157	2.06
8	A₁	1087	1087	0.43
9	A₁	961	961	0.74
10	A₁	860	860	0.09
11	A₂	3155	3155	0.00
12	A₂	1345	1345	0.00
13	A₂	1083	1083	0.00
14	A₂	617	617	0.00
15	A₂	107	107	0.00
16	B₁	3181	3181	70.76
17	B₁	1235	1235	3.64
18	B₁	992	992	8.55
19	B₁	871	871	2.51
20	B₁	616	616	63.20
21	B₁	426	426	7.73
22	B₂	3349	3349	17.57
23	B₂	3142	3142	47.14
24	B₂	1596	1596	0.57
25	B₂	1512	1512	3.29
26	B₂	1425	1425	0.64
27	B₂	1416	1416	2.14
28	B₂	1137	1137	0.73
29	B₂	954	954	7.92
30	B₂	770	770	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.268
C2	0.000	1.143	0.505
C3	0.000	-1.143	0.505
C4	0.000	0.770	-0.964
C5	0.000	-0.770	-0.964
H6	0.000	0.000	2.342
H7	0.000	2.192	0.722
H8	0.000	-2.192	0.722
H9	0.869	1.177	-1.471
H10	-0.869	1.177	-1.471
H11	0.869	-1.177	-1.471
H12	-0.869	-1.177	-1.471

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3748	1.3748	2.3609	2.3609	1.0743	2.2591	2.2591	3.1053	3.1053	3.1053	3.1053
C2	1.3748		2.2868	1.5149	2.4121	2.1643	1.0709	3.3425	2.1585	2.1585	3.1692	3.1692
C3	1.3748	2.2868		2.4121	1.5149	2.1643	3.3425	1.0709	3.1692	3.1692	2.1585	2.1585
C4	2.3609	1.5149	2.4121		1.5408	3.3945	2.2048	3.4083	1.0855	1.0855	2.1924	2.1924
C5	2.3609	2.4121	1.5149	1.5408		3.3945	3.4083	2.2048	2.1924	2.1924	1.0855	1.0855
H6	1.0743	2.1643	2.1643	3.3945	3.3945		2.7261	2.7261	4.0843	4.0843	4.0843	4.0843
H7	2.2591	1.0709	3.3425	2.2048	3.4083	2.7261		4.3841	2.5675	2.5675	4.1128	4.1128
H8	2.2591	3.3425	1.0709	3.4083	2.2048	2.7261	4.3841		4.1128	4.1128	2.5675	2.5675
H9	3.1053	2.1585	3.1692	1.0855	2.1924	4.0843	2.5675	4.1128		1.7384	2.3548	2.9269
H10	3.1053	2.1585	3.1692	1.0855	2.1924	4.0843	2.5675	4.1128	1.7384		2.9269	2.3548
H11	3.1053	3.1692	2.1585	2.1924	1.0855	4.0843	4.1128	2.5675	2.3548	2.9269		1.7384
H12	3.1053	3.1692	2.1585	2.1924	1.0855	4.0843	4.1128	2.5675	2.9269	2.3548	1.7384

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.478	C1	C2	H7	134.579
C1	C3	C5	109.478	C1	C3	H8	134.579
C2	C1	C3	112.539	C2	C1	H6	123.730
C2	C4	C5	104.252	C2	C4	H9	111.134
C2	C4	H10	111.134	C3	C1	H6	123.730
C3	C5	C4	104.252	C3	C5	H11	111.134
C3	C5	H12	111.134	C4	C2	H7	115.943
C4	C5	H11	112.017	C4	C5	H12	112.017
C5	C3	H8	115.943	C5	C4	H9	112.017
C5	C4	H10	112.017	H9	C4	H10	106.399
H11	C5	H12	106.399

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

using model chemistry: ROHF/aug-cc-pVTZ

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	-0.740
2	C	-0.601
3	C	-0.601
4	C	-0.314
5	C	-0.314
6	H	0.440
7	H	0.555
8	H	0.555
9	H	0.255
10	H	0.255
11	H	0.255
12	H	0.255

<r²>	99.373
(<r²>)^1/2	9.969

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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