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	hartrees
Energy at 0K	-192.890387
Energy at 298.15K	-192.895213
HF Energy	-192.234526
Nuclear repulsion energy	148.941605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3133	0.43
2	A₁	3282	3119	4.14
3	A₁	3255	3093	1.04
4	A₁	1572	1494	0.93
5	A₁	1475	1402	4.58
6	A₁	1179	1120	2.20
7	A₁	1096	1042	9.89
8	A₁	1064	1011	13.90
9	A₁	850	807	0.31
10	A₂	852	810	0.00
11	A₂	835	793	0.00
12	A₂	514	488	0.00
13	B₁	898	853	6.85
14	B₁	738	701	39.94
15	B₁	670	636	75.82
16	B₁	496	472	13.20
17	B₂	5568	5290	57219.34
18	B₂	3262	3099	70.80
19	B₂	3253	3091	21.06
20	B₂	1381	1312	101.65
21	B₂	1302	1237	0.55
22	B₂	1162	1104	13.44
23	B₂	963	915	5.16
24	B₂	857	814	8.58

Atom	y (Å)	z (Å)
C1	0.000	1.220
C2	1.118	0.393
C3	0.686	-1.004
C4	-0.686	-1.004
C5	-1.118	0.393
H6	0.000	2.301
H7	2.152	0.719
H8	1.342	-1.864
H9	-1.342	-1.864
H10	-2.152	0.719

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3908	2.3275	2.3275	1.3908	1.0804	2.2091	3.3639	3.3639	2.2091
C2	1.3908		1.4620	2.2814	2.2359	2.2112	1.0840	2.2681	3.3387	3.2857
C3	2.3275	1.4620		1.3719	2.2814	3.3750	2.2622	1.0821	2.2032	3.3198
C4	2.3275	2.2814	1.3719		1.4620	3.3750	3.3198	2.2032	1.0821	2.2622
C5	1.3908	2.2359	2.2814	1.4620		2.2112	3.2857	3.3387	2.2681	1.0840
H6	1.0804	2.2112	3.3750	3.3750	2.2112		2.6701	4.3758	4.3758	2.6701
H7	2.2091	1.0840	2.2622	3.3198	3.2857	2.6701		2.7073	4.3453	4.3031
H8	3.3639	2.2681	1.0821	2.2032	3.3387	4.3758	2.7073		2.6847	4.3453
H9	3.3639	3.3387	2.2032	1.0821	2.2681	4.3758	4.3453	2.6847		2.7073
H10	2.2091	3.2857	3.3198	2.2622	1.0840	2.6701	4.3031	4.3453	2.7073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	109.321	C1	C2	H7	125.962
C1	C5	C4	109.321	C1	C5	H10	125.962
C2	C1	C5	106.988	C2	C1	H6	126.506
C2	C3	C4	107.185	C2	C3	H8	125.472
C3	C2	H7	124.717	C3	C4	C5	107.185
C3	C4	H9	127.343	C4	C3	H8	127.343
C4	C5	H10	124.717	C5	C1	H6	126.506
C5	C4	H9	125.472

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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