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	hartrees
Energy at 0K	-192.838330
Energy at 298.15K	-192.843062
HF Energy	-192.191621
Nuclear repulsion energy	148.345478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3118	0.13
2	A₁	3266	3110	13.99
3	A₁	3237	3082	1.33
4	A₁	1622	1545	0.16
5	A₁	1501	1429	0.47
6	A₁	1167	1111	0.01
7	A₁	1109	1056	7.73
8	A₁	1059	1008	5.35
9	A₁	851	811	0.29
10	A₂	865	824	0.00
11	A₂	773	736	0.00
12	A₂	515	490	0.00
13	B₁	826	787	10.30
14	B₁	706	673	3.07
15	B₁	673	641	90.00
16	B₁	484	461	8.96
17	B₂	3249	3094	18.59
18	B₂	3237	3083	5.37
19	B₂	1783	1698	289.71
20	B₂	1416	1348	76.44
21	B₂	1323	1260	0.03
22	B₂	1155	1100	19.22
23	B₂	980	933	0.01
24	B₂	856	815	3.70

Atom	y (Å)	z (Å)
C1	0.000	1.226
C2	1.128	0.395
C3	0.680	-1.009
C4	-0.680	-1.009
C5	-1.128	0.395
H6	0.000	2.310
H7	2.166	0.719
H8	1.338	-1.872
H9	-1.338	-1.872
H10	-2.166	0.719

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4005	2.3353	2.3353	1.4005	1.0844	2.2240	3.3739	3.3739	2.2240
C2	1.4005		1.4740	2.2888	2.2560	2.2221	1.0868	2.2769	3.3496	3.3094
C3	2.3353	1.4740		1.3591	2.2888	3.3875	2.2787	1.0854	2.1941	3.3285
C4	2.3353	2.2888	1.3591		1.4740	3.3875	3.3285	2.1941	1.0854	2.2787
C5	1.4005	2.2560	2.2888	1.4740		2.2221	3.3094	3.3496	2.2769	1.0868
H6	1.0844	2.2221	3.3875	3.3875	2.2221		2.6872	4.3905	4.3905	2.6872
H7	2.2240	1.0868	2.2787	3.3285	3.3094	2.6872		2.7197	4.3571	4.3311
H8	3.3739	2.2769	1.0854	2.1941	3.3496	4.3905	2.7197		2.6753	4.3571
H9	3.3739	3.3496	2.1941	1.0854	2.2769	4.3905	4.3571	2.6753		2.7197
H10	2.2240	3.3094	3.3285	2.2787	1.0868	2.6872	4.3311	4.3571	2.7197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.641	C1	C2	H7	126.335
C1	C5	C4	108.641	C1	C5	H10	126.335
C2	C1	C5	107.296	C2	C1	H6	126.352
C2	C3	C4	107.711	C2	C3	H8	124.965
C3	C2	H7	125.024	C3	C4	C5	107.711
C3	C4	H9	127.324	C4	C3	H8	127.324
C4	C5	H10	125.024	C5	C1	H6	126.352
C5	C4	H9	124.965

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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