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	hartrees
Energy at 0K	-192.860263
Energy at 298.15K
HF Energy	-192.191801
Nuclear repulsion energy	148.541641

Atom	y (Å)	z (Å)
C1	0.000	1.224
C2	1.126	0.395
C3	0.679	-1.007
C4	-0.679	-1.007
C5	-1.126	0.395
H6	0.000	2.308
H7	2.163	0.718
H8	1.336	-1.870
H9	-1.336	-1.870
H10	-2.163	0.718

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3982	2.3321	2.3321	1.3982	1.0839	2.2215	3.3702	3.3702	2.2215
C2	1.3982		1.4720	2.2854	2.2521	2.2196	1.0863	2.2747	3.3457	3.3051
C3	2.3321	1.4720		1.3571	2.2854	3.3839	2.2763	1.0849	2.1919	3.3246
C4	2.3321	2.2854	1.3571		1.4720	3.3839	3.3246	2.1919	1.0849	2.2763
C5	1.3982	2.2521	2.2854	1.4720		2.2196	3.3051	3.3457	2.2747	1.0863
H6	1.0839	2.2196	3.3839	3.3839	2.2196		2.6844	4.3863	4.3863	2.6844
H7	2.2215	1.0863	2.2763	3.3246	3.3051	2.6844		2.7170	4.3527	4.3264
H8	3.3702	2.2747	1.0849	2.1919	3.3457	4.3863	2.7170		2.6729	4.3527
H9	3.3702	3.3457	2.1919	1.0849	2.2747	4.3863	4.3527	2.6729		2.7170
H10	2.2215	3.3051	3.3246	2.2763	1.0863	2.6844	4.3264	4.3527	2.7170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.659	C1	C2	H7	126.334
C1	C5	C4	108.659	C1	C5	H10	126.334
C2	C1	C5	107.286	C2	C1	H6	126.357
C2	C3	C4	107.698	C2	C3	H8	124.970
C3	C2	H7	125.007	C3	C4	C5	107.698
C3	C4	H9	127.332	C4	C3	H8	127.332
C4	C5	H10	125.007	C5	C1	H6	126.357
C5	C4	H9	124.970

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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