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	hartrees
Energy at 0K	-194.771506
Energy at 298.15K	-194.778764
HF Energy	-194.771506
Nuclear repulsion energy	163.200550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3208	3106	13.07
2	A₁	3175	3075	5.70
3	A₁	3008	2913	46.31
4	A₁	1496	1449	2.24
5	A₁	1481	1434	2.86
6	A₁	1272	1231	0.05
7	A₁	1107	1072	2.03
8	A₁	1027	994	0.00
9	A₁	907	879	1.22
10	A₁	805	779	0.00
11	A₂	3008	2912	0.00
12	A₂	1226	1187	0.00
13	A₂	990	958	0.00
14	A₂	638	618	0.00
15	A₂	121	117	0.00
16	B₁	3029	2933	46.11
17	B₁	1137	1101	2.59
18	B₁	946	916	4.66
19	B₁	798	773	2.42
20	B₁	596	577	62.46
21	B₁	444	430	3.05
22	B₂	3196	3094	20.26
23	B₂	2995	2900	35.21
24	B₂	1475	1428	0.95
25	B₂	1402	1358	5.35
26	B₂	1322	1281	1.83
27	B₂	1300	1259	3.89
28	B₂	1073	1039	0.12
29	B₂	911	882	17.47
30	B₂	721	698	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.164
C2	0.000	1.301	0.569
C3	0.000	-1.301	0.569
C4	0.000	0.810	-1.006
C5	0.000	-0.810	-1.006
H6	0.000	0.000	2.582
H7	0.000	2.323	0.910
H8	0.000	-2.323	0.910
H9	0.890	1.149	-1.535
H10	-0.890	1.149	-1.535
H11	0.890	-1.149	-1.535
H12	-0.890	-1.149	-1.535

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4305	1.4305	2.3158	2.3158	1.4183	2.3366	2.3366	3.0651	3.0651	3.0651	3.0651
C2	1.4305		2.6015	1.6492	2.6332	2.3971	1.0774	3.6395	2.2890	2.2890	3.3494	3.3494
C3	1.4305	2.6015		2.6332	1.6492	2.3971	3.6395	1.0774	3.3494	3.3494	2.2890	2.2890
C4	2.3158	1.6492	2.6332		1.6197	3.6781	2.4408	3.6718	1.0896	1.0896	2.2158	2.2158
C5	2.3158	2.6332	1.6492	1.6197		3.6781	3.6718	2.4408	2.2158	2.2158	1.0896	1.0896
H6	1.4183	2.3971	2.3971	3.6781	3.6781		2.8623	2.8623	4.3659	4.3659	4.3659	4.3659
H7	2.3366	1.0774	3.6395	2.4408	3.6718	2.8623		4.6455	2.8538	2.8538	4.3383	4.3383
H8	2.3366	3.6395	1.0774	3.6718	2.4408	2.8623	4.6455		4.3383	4.3383	2.8538	2.8538
H9	3.0651	2.2890	3.3494	1.0896	2.2158	4.3659	2.8538	4.3383		1.7803	2.2983	2.9071
H10	3.0651	2.2890	3.3494	1.0896	2.2158	4.3659	2.8538	4.3383	1.7803		2.9071	2.2983
H11	3.0651	3.3494	2.2890	2.2158	1.0896	4.3659	4.3383	2.8538	2.2983	2.9071		1.7803
H12	3.0651	3.3494	2.2890	2.2158	1.0896	4.3659	4.3383	2.8538	2.9071	2.2983	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.270	C1	C2	H7	136.962
C1	C3	C5	97.270	C1	C3	H8	136.962
C2	C1	C3	130.824	C2	C1	H6	114.588
C2	C4	C5	107.318	C2	C4	H9	111.761
C2	C4	H10	111.761	C3	C1	H6	114.588
C3	C5	C4	107.318	C3	C5	H11	111.761
C3	C5	H12	111.761	C4	C2	H7	125.768
C4	C5	H11	108.142	C4	C5	H12	108.142
C5	C3	H8	125.768	C5	C4	H9	108.142
C5	C4	H10	108.142	H9	C4	H10	109.561
H11	C5	H12	109.561

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

using model chemistry: TPSSh/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	-0.106
2	C	-0.136
3	C	-0.136
4	C	-0.080
5	C	-0.080
6	H	0.093
7	H	0.092
8	H	0.092
9	H	0.065
10	H	0.065
11	H	0.065
12	H	0.065

<r²>	99.843
(<r²>)^1/2	9.992

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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