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	hartrees
Energy at 0K	-193.042422
Energy at 298.15K
HF Energy	-192.257339
Nuclear repulsion energy	149.325601

Atom	y (Å)	z (Å)
C1	0.000	1.218
C2	1.118	0.394
C3	0.678	-1.003
C4	-0.678	-1.003
C5	-1.118	0.394
H6	0.000	2.293
H7	2.147	0.717
H8	1.331	-1.860
H9	-1.331	-1.860
H10	-2.147	0.717

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3886	2.3222	2.3222	1.3886	1.0757	2.2043	3.3529	3.3529	2.2043
C2	1.3886		1.4649	2.2755	2.2359	2.2040	1.0785	2.2638	3.3282	3.2807
C3	2.3222	1.4649		1.3561	2.2755	3.3657	2.2624	1.0770	2.1840	3.3077
C4	2.3222	2.2755	1.3561		1.4649	3.3657	3.3077	2.1840	1.0770	2.2624
C5	1.3886	2.2359	2.2755	1.4649		2.2040	3.2807	3.3282	2.2638	1.0785
H6	1.0757	2.2040	3.3657	3.3657	2.2040		2.6630	4.3612	4.3612	2.6630
H7	2.2043	1.0785	2.2624	3.3077	3.2807	2.6630		2.7033	4.3287	4.2936
H8	3.3529	2.2638	1.0770	2.1840	3.3282	4.3612	2.7033		2.6620	4.3287
H9	3.3529	3.3282	2.1840	1.0770	2.2638	4.3612	4.3287	2.6620		2.7033
H10	2.2043	3.2807	3.3077	2.2624	1.0785	2.6630	4.2936	4.3287	2.7033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.904	C1	C2	H7	126.160
C1	C5	C4	108.904	C1	C5	H10	126.160
C2	C1	C5	107.238	C2	C1	H6	126.381
C2	C3	C4	107.477	C2	C3	H8	125.201
C3	C2	H7	124.936	C3	C4	C5	107.477
C3	C4	H9	127.323	C4	C3	H8	127.323
C4	C5	H10	124.936	C5	C1	H6	126.381
C5	C4	H9	125.201

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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