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	hartrees
Energy at 0K	-30.556410
Energy at 298.15K	-30.561168
HF Energy	-30.203612
Nuclear repulsion energy	73.564714

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3155	2.68
2	A₁	3242	3133	21.02
3	A₁	3208	3100	3.48
4	A₁	1517	1466	0.64
5	A₁	1445	1397	3.51
6	A₁	1143	1104	2.40
7	A₁	1090	1053	15.53
8	A₁	1039	1004	13.46
9	A₁	843	814	0.39
10	A₂	822	794	0.00
11	A₂	789	763	0.00
12	A₂	519	501	0.00
13	B₁	865	836	22.93
14	B₁	720	696	65.80
15	B₁	687	664	126.20
16	B₁	513	496	11.38
17	B₂	3229	3121	4.83
18	B₂	3200	3093	0.13
19	B₂	2497	2413	2354.67
20	B₂	1366	1320	75.43
21	B₂	1298	1254	1.04
22	B₂	1156	1117	17.42
23	B₂	949	917	0.26
24	B₂	837	809	6.02

Atom	y (Å)	z (Å)
C1	0.000	1.255
C2	1.158	0.407
C3	0.708	-1.035
C4	-0.708	-1.035
C5	-1.158	0.407
H6	0.000	2.348
H7	2.204	0.739
H8	1.371	-1.907
H9	-1.371	-1.907
H10	-2.204	0.739

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4353	2.3964	2.3964	1.4353	1.0933	2.2634	3.4464	3.4464	2.2634
C2	1.4353		1.5101	2.3575	2.3157	2.2605	1.0974	2.3238	3.4275	3.3780
C3	2.3964	1.5101		1.4154	2.3575	3.4561	2.3202	1.0958	2.2540	3.4091
C4	2.3964	2.3575	1.4154		1.5101	3.4561	3.4091	2.2540	1.0958	2.3202
C5	1.4353	2.3157	2.3575	1.5101		2.2605	3.3780	3.4275	2.3238	1.0974
H6	1.0933	2.2605	3.4561	3.4561	2.2605		2.7289	4.4707	4.4707	2.7289
H7	2.2634	1.0974	2.3202	3.4091	3.3780	2.7289		2.7742	4.4472	4.4076
H8	3.4464	2.3238	1.0958	2.2540	3.4275	4.4707	2.7742		2.7411	4.4472
H9	3.4464	3.4275	2.2540	1.0958	2.3238	4.4707	4.4472	2.7411		2.7742
H10	2.2634	3.3780	3.4091	2.3202	1.0974	2.7289	4.4076	4.4472	2.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.878	C1	C2	H7	126.166
C1	C5	C4	108.878	C1	C5	H10	126.166
C2	C1	C5	107.556	C2	C1	H6	126.222
C2	C3	C4	107.344	C2	C3	H8	125.434
C3	C2	H7	124.957	C3	C4	C5	107.344
C3	C4	H9	127.222	C4	C3	H8	127.222
C4	C5	H10	124.957	C5	C1	H6	126.222
C5	C4	H9	125.434

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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