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	hartrees
Energy at 0K	-190.105347
Energy at 298.15K
HF Energy	-189.850465
Nuclear repulsion energy	146.898201

Atom	y (Å)	z (Å)
C1	0.000	1.231
C2	1.136	0.407
C3	0.687	-1.023
C4	-0.687	-1.023
C5	-1.136	0.407
H6	0.000	2.325
H7	2.186	0.733
H8	1.357	-1.892
H9	-1.357	-1.892
H10	-2.186	0.733

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4038	2.3565	2.3565	1.4038	1.0938	2.2420	3.4050	3.4050	2.2420
C2	1.4038		1.4984	2.3166	2.2720	2.2296	1.0995	2.3089	3.3907	3.3379
C3	2.3565	1.4984		1.3739	2.3166	3.4177	2.3088	1.0972	2.2209	3.3670
C4	2.3565	2.3166	1.3739		1.4984	3.4177	3.3670	2.2209	1.0972	2.3088
C5	1.4038	2.2720	2.3166	1.4984		2.2296	3.3379	3.3907	2.3089	1.0995
H6	1.0938	2.2296	3.4177	3.4177	2.2296		2.7042	4.4297	4.4297	2.7042
H7	2.2420	1.0995	2.3088	3.3670	3.3379	2.7042		2.7525	4.4093	4.3719
H8	3.4050	2.3089	1.0972	2.2209	3.3907	4.4297	2.7525		2.7139	4.4093
H9	3.4050	3.3907	2.2209	1.0972	2.3089	4.4297	4.4093	2.7139		2.7525
H10	2.2420	3.3379	3.3670	2.3088	1.0995	2.7042	4.3719	4.4093	2.7525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.537	C1	C2	H7	126.752
C1	C5	C4	108.537	C1	C5	H10	126.752
C2	C1	C5	108.047	C2	C1	H6	125.977
C2	C3	C4	107.440	C2	C3	H8	124.920
C3	C2	H7	124.711	C3	C4	C5	107.440
C3	C4	H9	127.640	C4	C3	H8	127.640
C4	C5	H10	124.711	C5	C1	H6	125.977
C5	C4	H9	124.920

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

using model chemistry: MP2/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/STO-3G

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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