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	hartrees
Energy at 0K	-192.825608
Energy at 298.15K	-192.830433
HF Energy	-192.191631
Nuclear repulsion energy	148.837602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3113	0.84
2	A₁	3278	3102	10.05
3	A₁	3251	3077	1.35
4	A₁	1631	1544	0.01
5	A₁	1523	1441	1.59
6	A₁	1185	1121	0.56
7	A₁	1125	1064	10.06
8	A₁	1071	1013	6.69
9	A₁	863	817	0.28
10	A₂	860	814	0.00
11	A₂	822	778	0.00
12	A₂	525	497	0.00
13	B₁	876	829	7.90
14	B₁	730	691	12.08
15	B₁	689	652	86.88
16	B₁	505	478	9.69
17	B₂	5689	5385	57141.42
18	B₂	3257	3083	90.31
19	B₂	3249	3076	20.65
20	B₂	1416	1340	77.65
21	B₂	1332	1261	0.03
22	B₂	1191	1127	11.75
23	B₂	979	927	1.63
24	B₂	874	828	8.14

Atom	y (Å)	z (Å)
C1	0.000	1.220
C2	1.121	0.395
C3	0.680	-1.006
C4	-0.680	-1.006
C5	-1.121	0.395
H6	0.000	2.304
H7	2.157	0.720
H8	1.339	-1.867
H9	-1.339	-1.867
H10	-2.157	0.720

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3921	2.3277	2.3277	1.3921	1.0835	2.2148	3.3656	3.3656	2.2148
C2	1.3921		1.4683	2.2813	2.2417	2.2139	1.0863	2.2726	3.3420	3.2944
C3	2.3277	1.4683		1.3599	2.2813	3.3789	2.2716	1.0848	2.1953	3.3209
C4	2.3277	2.2813	1.3599		1.4683	3.3789	3.3209	2.1953	1.0848	2.2716
C5	1.3921	2.2417	2.2813	1.4683		2.2139	3.2944	3.3420	2.2726	1.0863
H6	1.0835	2.2139	3.3789	3.3789	2.2139		2.6766	4.3810	4.3810	2.6766
H7	2.2148	1.0863	2.2716	3.3209	3.2944	2.6766		2.7133	4.3496	4.3149
H8	3.3656	2.2726	1.0848	2.1953	3.3420	4.3810	2.7133		2.6783	4.3496
H9	3.3656	3.3420	2.1953	1.0848	2.2726	4.3810	4.3496	2.6783		2.7133
H10	2.2148	3.2944	3.3209	2.2716	1.0863	2.6766	4.3149	4.3496	2.7133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.902	C1	C2	H7	126.220
C1	C5	C4	108.902	C1	C5	H10	126.220
C2	C1	C5	107.248	C2	C1	H6	126.376
C2	C3	C4	107.474	C2	C3	H8	125.104
C3	C2	H7	124.878	C3	C4	C5	107.474
C3	C4	H9	127.422	C4	C3	H8	127.422
C4	C5	H10	124.878	C5	C1	H6	126.376
C5	C4	H9	125.104

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

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

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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