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	hartrees
Energy at 0K	-192.863873
Energy at 298.15K
HF Energy	-192.191034
Nuclear repulsion energy	148.075581

Atom	y (Å)	z (Å)
C1	0.000	1.228
C2	1.130	0.396
C3	0.683	-1.010
C4	-0.683	-1.010
C5	-1.130	0.396
H6	0.000	2.314
H7	2.169	0.720
H8	1.342	-1.874
H9	-1.342	-1.874
H10	-2.169	0.720

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4030	2.3396	2.3396	1.4030	1.0861	2.2273	3.3798	3.3798	2.2273
C2	1.4030		1.4749	2.2935	2.2591	2.2261	1.0885	2.2797	3.3556	3.3141
C3	2.3396	1.4749		1.3654	2.2935	3.3933	2.2805	1.0869	2.2014	3.3351
C4	2.3396	2.2935	1.3654		1.4749	3.3933	3.3351	2.2014	1.0869	2.2805
C5	1.4030	2.2591	2.2935	1.4749		2.2261	3.3141	3.3556	2.2797	1.0885
H6	1.0861	2.2261	3.3933	3.3933	2.2261		2.6914	4.3978	4.3978	2.6914
H7	2.2273	1.0885	2.2805	3.3351	3.3141	2.6914		2.7225	4.3650	4.3373
H8	3.3798	2.2797	1.0869	2.2014	3.3556	4.3978	2.7225		2.6841	4.3650
H9	3.3798	3.3556	2.2014	1.0869	2.2797	4.3978	4.3650	2.6841		2.7225
H10	2.2273	3.3141	3.3351	2.2805	1.0885	2.6914	4.3373	4.3650	2.7225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.746	C1	C2	H7	126.287
C1	C5	C4	108.746	C1	C5	H10	126.287
C2	C1	C5	107.238	C2	C1	H6	126.381
C2	C3	C4	107.634	C2	C3	H8	125.022
C3	C2	H7	124.966	C3	C4	C5	107.634
C3	C4	H9	127.344	C4	C3	H8	127.344
C4	C5	H10	124.966	C5	C1	H6	126.381
C5	C4	H9	125.022

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

using model chemistry: CCSD(T)/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(T)/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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