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	hartrees
Energy at 0K	-194.270785
Energy at 298.15K
HF Energy	-193.436968
Nuclear repulsion energy	163.829961

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.263
C2	0.000	1.141	0.506
C3	0.000	-1.141	0.506
C4	0.000	0.772	-0.963
C5	0.000	-0.772	-0.963
H6	0.000	0.000	2.345
H7	0.000	2.196	0.730
H8	0.000	-2.196	0.730
H9	0.875	1.182	-1.473
H10	-0.875	1.182	-1.473
H11	0.875	-1.182	-1.473
H12	-0.875	-1.182	-1.473

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3695	1.3695	2.3562	2.3562	1.0819	2.2594	2.2594	3.1063	3.1063	3.1063	3.1063
C2	1.3695		2.2819	1.5145	2.4114	2.1645	1.0782	3.3440	2.1638	2.1638	3.1745	3.1745
C3	1.3695	2.2819		2.4114	1.5145	2.1645	3.3440	1.0782	3.1745	3.1745	2.1638	2.1638
C4	2.3562	1.5145	2.4114		1.5431	3.3970	2.2122	3.4161	1.0930	1.0930	2.2008	2.2008
C5	2.3562	2.4114	1.5145	1.5431		3.3970	3.4161	2.2122	2.2008	2.2008	1.0930	1.0930
H6	1.0819	2.1645	2.1645	3.3970	3.3970		2.7257	2.7257	4.0914	4.0914	4.0914	4.0914
H7	2.2594	1.0782	3.3440	2.2122	3.4161	2.7257		4.3911	2.5776	2.5776	4.1264	4.1264
H8	2.2594	3.3440	1.0782	3.4161	2.2122	2.7257	4.3911		4.1264	4.1264	2.5776	2.5776
H9	3.1063	2.1638	3.1745	1.0930	2.2008	4.0914	2.5776	4.1264		1.7507	2.3646	2.9421
H10	3.1063	2.1638	3.1745	1.0930	2.2008	4.0914	2.5776	4.1264	1.7507		2.9421	2.3646
H11	3.1063	3.1745	2.1638	2.2008	1.0930	4.0914	4.1264	2.5776	2.3646	2.9421		1.7507
H12	3.1063	3.1745	2.1638	2.2008	1.0930	4.0914	4.1264	2.5776	2.9421	2.3646	1.7507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.463	C1	C2	H7	134.420
C1	C3	C5	109.463	C1	C3	H8	134.420
C2	C1	C3	112.838	C2	C1	H6	123.581
C2	C4	C5	104.118	C2	C4	H9	111.131
C2	C4	H10	111.131	C3	C1	H6	123.581
C3	C5	C4	104.118	C3	C5	H11	111.131
C3	C5	H12	111.131	C4	C2	H7	116.117
C4	C5	H11	112.074	C4	C5	H12	112.074
C5	C3	H8	116.117	C5	C4	H9	112.074
C5	C4	H10	112.074	H9	C4	H10	106.424
H11	C5	H12	106.424

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

using model chemistry: CCD/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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All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

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