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	hartrees
Energy at 0K	-193.069459
Energy at 298.15K
HF Energy	-192.250686
Nuclear repulsion energy	148.459713

Atom	y (Å)	z (Å)
C1	0.000	1.225
C2	1.127	0.396
C3	0.681	-1.009
C4	-0.681	-1.009
C5	-1.127	0.396
H6	0.000	2.305
H7	2.160	0.718
H8	1.336	-1.868
H9	-1.336	-1.868
H10	-2.160	0.718

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3996	2.3353	2.3353	1.3996	1.0797	2.2188	3.3693	3.3693	2.2188
C2	1.3996		1.4735	2.2892	2.2544	2.2173	1.0821	2.2731	3.3451	3.3031
C3	2.3353	1.4735		1.3614	2.2892	3.3829	2.2739	1.0805	2.1919	3.3244
C4	2.3353	2.2892	1.3614		1.4735	3.3829	3.3244	2.1919	1.0805	2.2739
C5	1.3996	2.2544	2.2892	1.4735		2.2173	3.3031	3.3451	2.2731	1.0821
H6	1.0797	2.2173	3.3829	3.3829	2.2173		2.6803	4.3816	4.3816	2.6803
H7	2.2188	1.0821	2.2739	3.3244	3.3031	2.6803		2.7144	4.3484	4.3201
H8	3.3693	2.2731	1.0805	2.1919	3.3451	4.3816	2.7144		2.6715	4.3484
H9	3.3693	3.3451	2.1919	1.0805	2.2731	4.3816	4.3484	2.6715		2.7144
H10	2.2188	3.3031	3.3244	2.2739	1.0821	2.6803	4.3201	4.3484	2.7144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.718	C1	C2	H7	126.295
C1	C5	C4	108.718	C1	C5	H10	126.295
C2	C1	C5	107.286	C2	C1	H6	126.357
C2	C3	C4	107.639	C2	C3	H8	125.043
C3	C2	H7	124.987	C3	C4	C5	107.639
C3	C4	H9	127.318	C4	C3	H8	127.318
C4	C5	H10	124.987	C5	C1	H6	126.357
C5	C4	H9	125.043

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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