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	hartrees
Energy at 0K	-191.576228
Energy at 298.15K	-191.580960
HF Energy	-191.113742
Nuclear repulsion energy	146.921977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3243	3145
2	A₁	3228	3130
3	A₁	3203	3106
4	A₁	1539	1493
5	A₁	1409	1366
6	A₁	1164	1129
7	A₁	1097	1064
8	A₁	950	921
9	A₁	872	845
10	A₂	835	810
11	A₂	788	764
12	A₂	526	510
13	B₁	878	852
14	B₁	709	688
15	B₁	671	650
16	B₁	515	499
17	B₂	3285	3185
18	B₂	3198	3102
19	B₂	3159	3064
20	B₂	1380	1338
21	B₂	1296	1257
22	B₂	1187	1151
23	B₂	844	819
24	B₂	787	764

Atom	y (Å)	z (Å)
C1	0.000	1.233
C2	1.139	0.407
C3	0.688	-1.024
C4	-0.688	-1.024
C5	-1.139	0.407
H6	0.000	2.317
H7	2.175	0.733
H8	1.351	-1.884
H9	-1.351	-1.884
H10	-2.175	0.733

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4075	2.3597	2.3597	1.4075	1.0842	2.2322	3.3968	3.3968	2.2322
C2	1.4075		1.5001	2.3212	2.2787	2.2245	1.0862	2.3002	3.3832	3.3308
C3	2.3597	1.5001		1.3769	2.3212	3.4115	2.3017	1.0851	2.2129	3.3599
C4	2.3597	2.3212	1.3769		1.5001	3.4115	3.3599	2.2129	1.0851	2.3017
C5	1.4075	2.2787	2.3212	1.5001		2.2245	3.3308	3.3832	2.3002	1.0862
H6	1.0842	2.2245	3.4115	3.4115	2.2245		2.6912	4.4128	4.4128	2.6912
H7	2.2322	1.0862	2.3017	3.3599	3.3308	2.6912		2.7436	4.3909	4.3509
H8	3.3968	2.3002	1.0851	2.2129	3.3832	4.4128	2.7436		2.7012	4.3909
H9	3.3968	3.3832	2.2129	1.0851	2.3002	4.4128	4.3909	2.7012		2.7436
H10	2.2322	3.3308	3.3599	2.3017	1.0862	2.6912	4.3509	4.3909	2.7436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.460	C1	C2	H7	126.572
C1	C5	C4	108.460	C1	C5	H10	126.572
C2	C1	C5	108.095	C2	C1	H6	125.953
C2	C3	C4	107.492	C2	C3	H8	124.905
C3	C2	H7	124.968	C3	C4	C5	107.492
C3	C4	H9	127.603	C4	C3	H8	127.603
C4	C5	H10	124.968	C5	C1	H6	125.953
C5	C4	H9	124.905

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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