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	hartrees
Energy at 0K	-192.857777
Energy at 298.15K
HF Energy	-192.190824
Nuclear repulsion energy	148.475628

Atom	y (Å)	z (Å)
C1	0.000	1.223
C2	1.123	0.395
C3	0.685	-1.007
C4	-0.685	-1.007
C5	-1.123	0.395
H6	0.000	2.308
H7	2.161	0.721
H8	1.346	-1.870
H9	-1.346	-1.870
H10	-2.161	0.721

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3954	2.3329	2.3329	1.3954	1.0855	2.2185	3.3729	3.3729	2.2185
C2	1.3954		1.4686	2.2881	2.2461	2.2189	1.0882	2.2755	3.3502	3.3003
C3	2.3329	1.4686		1.3706	2.2881	3.3856	2.2727	1.0865	2.2068	3.3301
C4	2.3329	2.2881	1.3706		1.4686	3.3856	3.3301	2.2068	1.0865	2.2727
C5	1.3954	2.2461	2.2881	1.4686		2.2189	3.3003	3.3502	2.2755	1.0882
H6	1.0855	2.2189	3.3856	3.3856	2.2189		2.6813	4.3896	4.3896	2.6813
H7	2.2185	1.0882	2.2727	3.3301	3.3003	2.6813		2.7163	4.3603	4.3222
H8	3.3729	2.2755	1.0865	2.2068	3.3502	4.3896	2.7163		2.6918	4.3603
H9	3.3729	3.3502	2.2068	1.0865	2.2755	4.3896	4.3603	2.6918		2.7163
H10	2.2185	3.3003	3.3301	2.2727	1.0882	2.6813	4.3222	4.3603	2.7163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	109.065	C1	C2	H7	126.132
C1	C5	C4	109.065	C1	C5	H10	126.132
C2	C1	C5	107.187	C2	C1	H6	126.406
C2	C3	C4	107.341	C2	C3	H8	125.218
C3	C2	H7	124.803	C3	C4	C5	107.341
C3	C4	H9	127.441	C4	C3	H8	127.441
C4	C5	H10	124.803	C5	C1	H6	126.406
C5	C4	H9	125.218

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

	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 C5H5 (cyclopentadienyl radical)

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)