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	hartrees
Energy at 0K	-192.823100
Energy at 298.15K	-192.827936
HF Energy	-192.191725
Nuclear repulsion energy	148.960728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3313	3110	0.43
2	A₁	3303	3100	8.84
3	A₁	3275	3074	1.25
4	A₁	1634	1533	0.00
5	A₁	1526	1432	2.01
6	A₁	1191	1118	0.75
7	A₁	1129	1060	10.74
8	A₁	1076	1010	7.74
9	A₁	867	814	0.29
10	A₂	854	802	0.00
11	A₂	831	780	0.00
12	A₂	526	494	0.00
13	B₁	878	824	7.69
14	B₁	734	689	20.07
15	B₁	688	646	81.94
16	B₁	506	475	10.65
17	B₂	5833	5475	64266.06
18	B₂	3283	3082	80.29
19	B₂	3275	3074	28.19
20	B₂	1419	1332	83.70
21	B₂	1337	1255	0.04
22	B₂	1196	1123	11.77
23	B₂	982	922	2.25
24	B₂	877	823	9.16

Atom	y (Å)	z (Å)
C1	0.000	1.220
C2	1.119	0.394
C3	0.680	-1.005
C4	-0.680	-1.005
C5	-1.119	0.394
H6	0.000	2.302
H7	2.154	0.718
H8	1.339	-1.864
H9	-1.339	-1.864
H10	-2.154	0.718

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3911	2.3270	2.3270	1.3911	1.0816	2.2119	3.3627	3.3627	2.2119
C2	1.3911		1.4667	2.2798	2.2389	2.2117	1.0844	2.2694	3.3385	3.2897
C3	2.3270	1.4667		1.3606	2.2798	3.3762	2.2679	1.0827	2.1945	3.3174
C4	2.3270	2.2798	1.3606		1.4667	3.3762	3.3174	2.1945	1.0827	2.2679
C5	1.3911	2.2389	2.2798	1.4667		2.2117	3.2897	3.3385	2.2694	1.0844
H6	1.0816	2.2117	3.3762	3.3762	2.2117		2.6736	4.3761	4.3761	2.6736
H7	2.2119	1.0844	2.2679	3.3174	3.2897	2.6736		2.7085	4.3444	4.3085
H8	3.3627	2.2694	1.0827	2.1945	3.3385	4.3761	2.7085		2.6779	4.3444
H9	3.3627	3.3385	2.1945	1.0827	2.2694	4.3761	4.3444	2.6779		2.7085
H10	2.2119	3.2897	3.3174	2.2679	1.0844	2.6736	4.3085	4.3444	2.7085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.997	C1	C2	H7	126.190
C1	C5	C4	108.997	C1	C5	H10	126.190
C2	C1	C5	107.162	C2	C1	H6	126.419
C2	C3	C4	107.422	C2	C3	H8	125.107
C3	C2	H7	124.813	C3	C4	C5	107.422
C3	C4	H9	127.471	C4	C3	H8	127.471
C4	C5	H10	124.813	C5	C1	H6	126.419
C5	C4	H9	125.107

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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