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	hartrees
Energy at 0K	-191.571390
Energy at 298.15K
HF Energy	-191.114004
Nuclear repulsion energy	146.657813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3419	3286	16.95
2	A₁	3232	3106	2.45
3	A₁	3222	3097	11.71
4	A₁	1849	1777	17.44
5	A₁	1512	1453	1.61
6	A₁	1263	1214	0.17
7	A₁	1146	1101	2.80
8	A₁	882	848	0.02
9	A₁	494i	475i	5.76
10	A₂	875	841	0.00
11	A₂	740	711	0.00
12	A₂	519	498	0.00
13	B₁	837	804	12.78
14	B₁	702	675	15.80
15	B₁	650	625	98.74
16	B₁	494	475	10.25
17	B₂	4068	3910	32730.72
18	B₂	3205	3080	14.54
19	B₂	3051	2933	519.26
20	B₂	1380	1326	74.41
21	B₂	1295	1245	12.77
22	B₂	944	907	4.32
23	B₂	878	844	12.56
24	B₂	3551i	3413i	28335.72

Atom	y (Å)	z (Å)
C1	0.000	1.237
C2	1.146	0.407
C3	0.684	-1.026
C4	-0.684	-1.026
C5	-1.146	0.407
H6	0.000	2.321
H7	2.182	0.730
H8	1.343	-1.887
H9	-1.343	-1.887
H10	-2.182	0.730

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4148	2.3645	2.3645	1.4148	1.0840	2.2405	3.4010	3.4010	2.2405
C2	1.4148		1.5058	2.3238	2.2912	2.2309	1.0859	2.3027	3.3850	3.3436
C3	2.3645	1.5058		1.3672	2.3238	3.4166	2.3089	1.0847	2.2023	3.3613
C4	2.3645	2.3238	1.3672		1.5058	3.4166	3.3613	2.2023	1.0847	2.3089
C5	1.4148	2.2912	2.3238	1.5058		2.2309	3.3436	3.3850	2.3027	1.0859
H6	1.0840	2.2309	3.4166	3.4166	2.2309		2.7009	4.4177	4.4177	2.7009
H7	2.2405	1.0859	2.3089	3.3613	3.3436	2.7009		2.7485	4.3910	4.3648
H8	3.4010	2.3027	1.0847	2.2023	3.3850	4.4177	2.7485		2.6867	4.3910
H9	3.4010	3.3850	2.2023	1.0847	2.3027	4.4177	4.3910	2.6867		2.7485
H10	2.2405	3.3436	3.3613	2.3089	1.0859	2.7009	4.3648	4.3910	2.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.066	C1	C2	H7	126.759
C1	C5	C4	108.066	C1	C5	H10	126.759
C2	C1	C5	108.135	C2	C1	H6	125.933
C2	C3	C4	107.867	C2	C3	H8	124.671
C3	C2	H7	125.176	C3	C4	C5	107.867
C3	C4	H9	127.462	C4	C3	H8	127.462
C4	C5	H10	125.176	C5	C1	H6	125.933
C5	C4	H9	124.671

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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