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	hartrees
Energy at 0K	-193.093105
Energy at 298.15K
HF Energy	-192.256793
Nuclear repulsion energy	148.511074

Atom	y (Å)	z (Å)
C1	0.000	1.225
C2	1.127	0.395
C3	0.681	-1.008
C4	-0.681	-1.008
C5	-1.127	0.395
H6	0.000	2.304
H7	2.159	0.718
H8	1.334	-1.867
H9	-1.334	-1.867
H10	-2.159	0.718

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3999	2.3350	2.3350	1.3999	1.0783	2.2174	3.3682	3.3682	2.2174
C2	1.3999		1.4721	2.2885	2.2538	2.2166	1.0810	2.2717	3.3428	3.3013
C3	2.3350	1.4721		1.3623	2.2885	3.3811	2.2719	1.0792	2.1908	3.3230
C4	2.3350	2.2885	1.3623		1.4721	3.3811	3.3230	2.1908	1.0792	2.2719
C5	1.3999	2.2538	2.2885	1.4721		2.2166	3.3013	3.3428	2.2717	1.0810
H6	1.0783	2.2166	3.3811	3.3811	2.2166		2.6785	4.3792	4.3792	2.6785
H7	2.2174	1.0810	2.2719	3.3230	3.3013	2.6785		2.7135	4.3453	4.3171
H8	3.3682	2.2717	1.0792	2.1908	3.3428	4.3792	2.7135		2.6681	4.3453
H9	3.3682	3.3428	2.1908	1.0792	2.2717	4.3792	4.3453	2.6681		2.7135
H10	2.2174	3.3013	3.3230	2.2719	1.0810	2.6785	4.3171	4.3453	2.7135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.761	C1	C2	H7	126.230
C1	C5	C4	108.761	C1	C5	H10	126.230
C2	C1	C5	107.224	C2	C1	H6	126.388
C2	C3	C4	107.627	C2	C3	H8	125.143
C3	C2	H7	125.009	C3	C4	C5	107.627
C3	C4	H9	127.230	C4	C3	H8	127.230
C4	C5	H10	125.009	C5	C1	H6	126.388
C5	C4	H9	125.143

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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