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	hartrees
Energy at 0K	-194.575788
Energy at 298.15K	-194.582870
HF Energy	-194.575788
Nuclear repulsion energy	161.697229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3151	8.35
2	A₁	3087	3092	16.76
3	A₁	2922	2926	40.63
4	A₁	1440	1443	0.10
5	A₁	1411	1413	5.49
6	A₁	1224	1226	0.13
7	A₁	1061	1063	3.33
8	A₁	1002	1003	0.05
9	A₁	882	884	3.93
10	A₁	786	787	0.26
11	A₂	2917	2922	0.00
12	A₂	1171	1173	0.00
13	A₂	949	950	0.00
14	A₂	588	589	0.00
15	A₂	116	116	0.00
16	B₁	2938	2943	53.54
17	B₁	1092	1094	1.80
18	B₁	925	926	3.01
19	B₁	770	772	0.94
20	B₁	585	586	39.30
21	B₁	412	413	7.39
22	B₂	3136	3141	12.52
23	B₂	2907	2911	40.97
24	B₂	1412	1414	0.01
25	B₂	1379	1381	1.70
26	B₂	1262	1264	3.28
27	B₂	1248	1250	2.83
28	B₂	1042	1044	1.70
29	B₂	886	887	13.93
30	B₂	702	703	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.279
C2	0.000	1.159	0.510
C3	0.000	-1.159	0.510
C4	0.000	0.780	-0.969
C5	0.000	-0.780	-0.969
H6	0.000	0.000	2.380
H7	0.000	2.234	0.725
H8	0.000	-2.234	0.725
H9	0.886	1.203	-1.496
H10	-0.886	1.203	-1.496
H11	0.886	-1.203	-1.496
H12	-0.886	-1.203	-1.496

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3904	1.3904	2.3795	2.3795	1.1011	2.3016	2.3016	3.1516	3.1516	3.1516	3.1516
C2	1.3904		2.3173	1.5270	2.4387	2.1996	1.0965	3.3994	2.1936	2.1936	3.2230	3.2230
C3	1.3904	2.3173		2.4387	1.5270	2.1996	3.3994	1.0965	3.2230	3.2230	2.1936	2.1936
C4	2.3795	1.5270	2.4387		1.5603	3.4387	2.2324	3.4576	1.1141	1.1141	2.2350	2.2350
C5	2.3795	2.4387	1.5270	1.5603		3.4387	3.4576	2.2324	2.2350	2.2350	1.1141	1.1141
H6	1.1011	2.1996	2.1996	3.4387	3.4387		2.7802	2.7802	4.1540	4.1540	4.1540	4.1540
H7	2.3016	1.0965	3.3994	2.2324	3.4576	2.7802		4.4679	2.6040	2.6040	4.1870	4.1870
H8	2.3016	3.3994	1.0965	3.4576	2.2324	2.7802	4.4679		4.1870	4.1870	2.6040	2.6040
H9	3.1516	2.1936	3.2230	1.1141	2.2350	4.1540	2.6040	4.1870		1.7715	2.4061	2.9879
H10	3.1516	2.1936	3.2230	1.1141	2.2350	4.1540	2.6040	4.1870	1.7715		2.9879	2.4061
H11	3.1516	3.2230	2.1936	2.2350	1.1141	4.1540	4.1870	2.6040	2.4061	2.9879		1.7715
H12	3.1516	3.2230	2.1936	2.2350	1.1141	4.1540	4.1870	2.6040	2.9879	2.4061	1.7715

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.207	C1	C2	H7	135.147
C1	C3	C5	109.207	C1	C3	H8	135.147
C2	C1	C3	112.882	C2	C1	H6	123.559
C2	C4	C5	104.352	C2	C4	H9	111.358
C2	C4	H10	111.358	C3	C1	H6	123.559
C3	C5	C4	104.352	C3	C5	H11	111.358
C3	C5	H12	111.358	C4	C2	H7	115.645
C4	C5	H11	112.310	C4	C5	H12	112.310
C5	C3	H8	115.645	C5	C4	H9	112.310
C5	C4	H10	112.310	H9	C4	H10	105.322
H11	C5	H12	105.322

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

using model chemistry: BLYP/cc-pVDZ

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	0.110
2	C	-0.026
3	C	-0.026
4	C	0.034
5	C	0.034
6	H	-0.055
7	H	-0.048
8	H	-0.048
9	H	0.006
10	H	0.006
11	H	0.006
12	H	0.006

<r²>	101.488
(<r²>)^1/2	10.074

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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