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	hartrees
Energy at 0K	-194.624049
Energy at 298.15K	-194.631236
HF Energy	-194.624049
Nuclear repulsion energy	162.886071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3123	13.97
2	A₁	3133	3089	7.98
3	A₁	2962	2921	50.21
4	A₁	1461	1441	1.27
5	A₁	1447	1426	4.69
6	A₁	1240	1222	0.07
7	A₁	1087	1071	2.19
8	A₁	1009	995	0.02
9	A₁	888	875	1.59
10	A₁	797	786	0.00
11	A₂	2961	2920	0.00
12	A₂	1195	1179	0.00
13	A₂	970	956	0.00
14	A₂	618	609	0.00
15	A₂	122	121	0.00
16	B₁	2983	2941	49.36
17	B₁	1117	1101	2.04
18	B₁	917	905	4.36
19	B₁	787	776	1.61
20	B₁	579	571	60.46
21	B₁	441	434	3.03
22	B₂	3156	3112	22.67
23	B₂	2949	2908	38.99
24	B₂	1439	1418	0.99
25	B₂	1385	1365	4.10
26	B₂	1295	1277	2.58
27	B₂	1271	1254	4.57
28	B₂	1059	1044	0.27
29	B₂	898	885	18.55
30	B₂	716	706	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.274
C2	0.000	1.147	0.490
C3	0.000	-1.147	0.490
C4	0.000	0.780	-0.970
C5	0.000	-0.780	-0.970
H6	0.000	0.000	2.360
H7	0.000	2.166	0.858
H8	0.000	-2.166	0.858
H9	0.876	1.188	-1.492
H10	-0.876	1.188	-1.492
H11	0.876	-1.188	-1.492
H12	-0.876	-1.188	-1.492

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3892	1.3892	2.3759	2.3759	1.0857	2.2062	2.2062	3.1359	3.1359	3.1359	3.1359
C2	1.3892		2.2936	1.5057	2.4175	2.1934	1.0837	3.3336	2.1682	2.1682	3.1858	3.1858
C3	1.3892	2.2936		2.4175	1.5057	2.1934	3.3336	1.0837	3.1858	3.1858	2.1682	2.1682
C4	2.3759	1.5057	2.4175		1.5596	3.4200	2.2940	3.4670	1.0988	1.0988	2.2163	2.2163
C5	2.3759	2.4175	1.5057	1.5596		3.4200	3.4670	2.2940	2.2163	2.2163	1.0988	1.0988
H6	1.0857	2.1934	2.1934	3.4200	3.4200		2.6365	2.6365	4.1255	4.1255	4.1255	4.1255
H7	2.2062	1.0837	3.3336	2.2940	3.4670	2.6365		4.3330	2.6922	2.6922	4.1882	4.1882
H8	2.2062	3.3336	1.0837	3.4670	2.2940	2.6365	4.3330		4.1882	4.1882	2.6922	2.6922
H9	3.1359	2.1682	3.1858	1.0988	2.2163	4.1255	2.6922	4.1882		1.7526	2.3755	2.9520
H10	3.1359	2.1682	3.1858	1.0988	2.2163	4.1255	2.6922	4.1882	1.7526		2.9520	2.3755
H11	3.1359	3.1858	2.1682	2.2163	1.0988	4.1255	4.1882	2.6922	2.3755	2.9520		1.7526
H12	3.1359	3.1858	2.1682	2.2163	1.0988	4.1255	4.1882	2.6922	2.9520	2.3755	1.7526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.434	C1	C2	H7	136.891
C1	C3	C5	97.434	C1	C3	H8	136.891
C2	C1	C3	130.649	C2	C1	H6	114.675
C2	C4	C5	107.242	C2	C4	H9	111.751
C2	C4	H10	111.751	C3	C1	H6	114.675
C3	C5	C4	107.242	C3	C5	H11	111.751
C3	C5	H12	111.751	C4	C2	H7	125.675
C4	C5	H11	108.199	C4	C5	H12	108.199
C5	C3	H8	125.675	C5	C4	H9	108.199
C5	C4	H10	108.199	H9	C4	H10	109.547
H11	C5	H12	109.547

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: B97D3/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.107
2	C	-0.148
3	C	-0.148
4	C	-0.103
5	C	-0.103
6	H	0.095
7	H	0.107
8	H	0.107
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075

<r²>	100.238
(<r²>)^1/2	10.012

All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)