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	hartrees
Energy at 0K	-190.107510
Energy at 298.15K
HF Energy	-189.850482
Nuclear repulsion energy	146.910476

Atom	y (Å)	z (Å)
C1	0.000	1.231
C2	1.136	0.406
C3	0.687	-1.023
C4	-0.687	-1.023
C5	-1.136	0.406
H6	0.000	2.325
H7	2.186	0.733
H8	1.357	-1.891
H9	-1.357	-1.891
H10	-2.186	0.733

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4038	2.3562	2.3562	1.4038	1.0938	2.2418	3.4047	3.4047	2.2418
C2	1.4038		1.4980	2.3163	2.2719	2.2296	1.0994	2.3085	3.3904	3.3377
C3	2.3562	1.4980		1.3739	2.3163	3.4174	2.3085	1.0971	2.2208	3.3668
C4	2.3562	2.3163	1.3739		1.4980	3.4174	3.3668	2.2208	1.0971	2.3085
C5	1.4038	2.2719	2.3163	1.4980		2.2296	3.3377	3.3904	2.3085	1.0994
H6	1.0938	2.2296	3.4174	3.4174	2.2296		2.7040	4.4294	4.4294	2.7040
H7	2.2418	1.0994	2.3085	3.3668	3.3377	2.7040		2.7523	4.4089	4.3715
H8	3.4047	2.3085	1.0971	2.2208	3.3904	4.4294	2.7523		2.7138	4.4089
H9	3.4047	3.3904	2.2208	1.0971	2.3085	4.4294	4.4089	2.7138		2.7523
H10	2.2418	3.3377	3.3668	2.3085	1.0994	2.7040	4.3715	4.4089	2.7523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.538	C1	C2	H7	126.738
C1	C5	C4	108.538	C1	C5	H10	126.738
C2	C1	C5	108.041	C2	C1	H6	125.979
C2	C3	C4	107.442	C2	C3	H8	124.920
C3	C2	H7	124.724	C3	C4	C5	107.442
C3	C4	H9	127.638	C4	C3	H8	127.638
C4	C5	H10	124.724	C5	C1	H6	125.979
C5	C4	H9	124.920

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

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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