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	hartrees
Energy at 0K	-192.842894
Energy at 298.15K
HF Energy	-192.207476
Nuclear repulsion energy	148.295127

Atom	y (Å)	z (Å)
C1	0.000	1.225
C2	1.122	0.393
C3	0.690	-1.007
C4	-0.690	-1.007
C5	-1.122	0.393
H6	0.000	2.313
H7	2.164	0.723
H8	1.350	-1.874
H9	-1.350	-1.874
H10	-2.164	0.723

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3967	2.3357	2.3357	1.3967	1.0884	2.2209	3.3802	3.3802	2.2209
C2	1.3967		1.4657	2.2900	2.2448	2.2237	1.0921	2.2790	3.3548	3.3024
C3	2.3357	1.4657		1.3791	2.2900	3.3908	2.2727	1.0901	2.2163	3.3366
C4	2.3357	2.2900	1.3791		1.4657	3.3908	3.3366	2.2163	1.0901	2.2727
C5	1.3967	2.2448	2.2900	1.4657		2.2237	3.3024	3.3548	2.2790	1.0921
H6	1.0884	2.2237	3.3908	3.3908	2.2237		2.6850	4.3996	4.3996	2.6850
H7	2.2209	1.0921	2.2727	3.3366	3.3024	2.6850		2.7217	4.3693	4.3271
H8	3.3802	2.2790	1.0901	2.2163	3.3548	4.3996	2.7217		2.7000	4.3693
H9	3.3802	3.3548	2.2163	1.0901	2.2790	4.3996	4.3693	2.7000		2.7217
H10	2.2209	3.3024	3.3366	2.2727	1.0921	2.6850	4.3271	4.3693	2.7217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	109.350	C1	C2	H7	125.906
C1	C5	C4	109.350	C1	C5	H10	125.906
C2	C1	C5	106.949	C2	C1	H6	126.526
C2	C3	C4	107.176	C2	C3	H8	125.537
C3	C2	H7	124.744	C3	C4	C5	107.176
C3	C4	H9	127.287	C4	C3	H8	127.287
C4	C5	H10	124.744	C5	C1	H6	126.526
C5	C4	H9	125.537

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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