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	hartrees
Energy at 0K	-192.980030
Energy at 298.15K
HF Energy	-192.250549
Nuclear repulsion energy	148.364321

Atom	y (Å)	z (Å)
C1	0.000	1.226
C2	1.128	0.396
C3	0.681	-1.009
C4	-0.681	-1.009
C5	-1.128	0.396
H6	0.000	2.306
H7	2.161	0.719
H8	1.337	-1.869
H9	-1.337	-1.869
H10	-2.161	0.719

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4006	2.3368	2.3368	1.4006	1.0804	2.2202	3.3715	3.3715	2.2202
C2	1.4006		1.4744	2.2906	2.2559	2.2187	1.0828	2.2745	3.3472	3.3052
C3	2.3368	1.4744		1.3623	2.2906	3.3850	2.2753	1.0812	2.1934	3.3266
C4	2.3368	2.2906	1.3623		1.4744	3.3850	3.3266	2.1934	1.0812	2.2753
C5	1.4006	2.2559	2.2906	1.4744		2.2187	3.3052	3.3472	2.2745	1.0828
H6	1.0804	2.2187	3.3850	3.3850	2.2187		2.6820	4.3843	4.3843	2.6820
H7	2.2202	1.0828	2.2753	3.3266	3.3052	2.6820		2.7161	4.3513	4.3230
H8	3.3715	2.2745	1.0812	2.1934	3.3472	4.3843	2.7161		2.6733	4.3513
H9	3.3715	3.3472	2.1934	1.0812	2.2745	4.3843	4.3513	2.6733		2.7161
H10	2.2202	3.3052	3.3266	2.2753	1.0828	2.6820	4.3230	4.3513	2.7161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.717	C1	C2	H7	126.296
C1	C5	C4	108.717	C1	C5	H10	126.296
C2	C1	C5	107.287	C2	C1	H6	126.356
C2	C3	C4	107.639	C2	C3	H8	125.040
C3	C2	H7	124.987	C3	C4	C5	107.639
C3	C4	H9	127.320	C4	C3	H8	127.320
C4	C5	H10	124.987	C5	C1	H6	126.356
C5	C4	H9	125.040

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

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

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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