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	hartrees
Energy at 0K	-192.866686
Energy at 298.15K
HF Energy	-192.201370
Nuclear repulsion energy	149.025129

Atom	y (Å)	z (Å)
C1	0.000	1.220
C2	1.121	0.395
C3	0.680	-1.005
C4	-0.680	-1.005
C5	-1.121	0.395
H6	0.000	2.297
H7	2.151	0.718
H8	1.335	-1.862
H9	-1.335	-1.862
H10	-2.151	0.718

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3917	2.3269	2.3269	1.3917	1.0771	2.2088	3.3586	3.3586	2.2088
C2	1.3917		1.4677	2.2806	2.2410	2.2079	1.0799	2.2668	3.3347	3.2873
C3	2.3269	1.4677		1.3595	2.2806	3.3717	2.2657	1.0783	2.1890	3.3139
C4	2.3269	2.2806	1.3595		1.4677	3.3717	3.3139	2.1890	1.0783	2.2657
C5	1.3917	2.2410	2.2806	1.4677		2.2079	3.2873	3.3347	2.2668	1.0799
H6	1.0771	2.2079	3.3717	3.3717	2.2079		2.6684	4.3681	4.3681	2.6684
H7	2.2088	1.0799	2.2657	3.3139	3.2873	2.6684		2.7059	4.3364	4.3018
H8	3.3586	2.2668	1.0783	2.1890	3.3347	4.3681	2.7059		2.6692	4.3364
H9	3.3586	3.3347	2.1890	1.0783	2.2668	4.3681	4.3364	2.6692		2.7059
H10	2.2088	3.2873	3.3139	2.2657	1.0799	2.6684	4.3018	4.3364	2.7059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.900	C1	C2	H7	126.211
C1	C5	C4	108.900	C1	C5	H10	126.211
C2	C1	C5	107.249	C2	C1	H6	126.376
C2	C3	C4	107.476	C2	C3	H8	125.131
C3	C2	H7	124.890	C3	C4	C5	107.476
C3	C4	H9	127.393	C4	C3	H8	127.393
C4	C5	H10	124.890	C5	C1	H6	126.376
C5	C4	H9	125.131

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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