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	hartrees
Energy at 0K	-194.690602
Energy at 298.15K	-194.697809
HF Energy	-194.690602
Nuclear repulsion energy	162.790098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3131	7.97
2	A₁	3174	3078	12.60
3	A₁	3008	2918	38.79
4	A₁	1488	1443	0.03
5	A₁	1456	1413	5.63
6	A₁	1275	1236	0.24
7	A₁	1093	1060	3.63
8	A₁	1037	1006	0.02
9	A₁	915	888	3.67
10	A₁	809	785	0.25
11	A₂	3010	2920	0.00
12	A₂	1211	1175	0.00
13	A₂	980	951	0.00
14	A₂	613	595	0.00
15	A₂	115	112	0.00
16	B₁	3031	2940	49.54
17	B₁	1127	1093	2.03
18	B₁	955	926	3.43
19	B₁	796	772	1.39
20	B₁	602	584	44.72
21	B₁	423	410	7.25
22	B₂	3217	3121	9.14
23	B₂	2993	2903	38.61
24	B₂	1444	1401	0.09
25	B₂	1417	1375	2.64
26	B₂	1307	1267	4.80
27	B₂	1288	1249	1.62
28	B₂	1066	1034	1.57
29	B₂	914	886	15.34
30	B₂	723	701	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.271
C2	0.000	1.150	0.506
C3	0.000	-1.150	0.506
C4	0.000	0.774	-0.964
C5	0.000	-0.774	-0.964
H6	0.000	0.000	2.365
H7	0.000	2.218	0.724
H8	0.000	-2.218	0.724
H9	0.881	1.194	-1.486
H10	-0.881	1.194	-1.486
H11	0.881	-1.194	-1.486
H12	-0.881	-1.194	-1.486

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3816	1.3816	2.3653	2.3653	1.0939	2.2846	2.2846	3.1305	3.1305	3.1305	3.1305
C2	1.3816		2.3004	1.5170	2.4214	2.1862	1.0898	3.3753	2.1779	2.1779	3.1992	3.1992
C3	1.3816	2.3004		2.4214	1.5170	2.1862	3.3753	1.0898	3.1992	3.1992	2.1779	2.1779
C4	2.3653	1.5170	2.4214		1.5484	3.4177	2.2209	3.4353	1.1062	1.1062	2.2182	2.2182
C5	2.3653	2.4214	1.5170	1.5484		3.4177	3.4353	2.2209	2.2182	2.2182	1.1062	1.1062
H6	1.0939	2.1862	2.1862	3.4177	3.4177		2.7593	2.7593	4.1265	4.1265	4.1265	4.1265
H7	2.2846	1.0898	3.3753	2.2209	3.4353	2.7593		4.4360	2.5896	2.5896	4.1589	4.1589
H8	2.2846	3.3753	1.0898	3.4353	2.2209	2.7593	4.4360		4.1589	4.1589	2.5896	2.5896
H9	3.1305	2.1779	3.1992	1.1062	2.2182	4.1265	2.5896	4.1589		1.7613	2.3873	2.9667
H10	3.1305	2.1779	3.1992	1.1062	2.2182	4.1265	2.5896	4.1589	1.7613		2.9667	2.3873
H11	3.1305	3.1992	2.1779	2.2182	1.1062	4.1265	4.1589	2.5896	2.3873	2.9667		1.7613
H12	3.1305	3.1992	2.1779	2.2182	1.1062	4.1265	4.1589	2.5896	2.9667	2.3873	1.7613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.288	C1	C2	H7	134.829
C1	C3	C5	109.288	C1	C3	H8	134.829
C2	C1	C3	112.722	C2	C1	H6	123.639
C2	C4	C5	104.351	C2	C4	H9	111.283
C2	C4	H10	111.283	C3	C1	H6	123.639
C3	C5	C4	104.351	C3	C5	H11	111.283
C3	C5	H12	111.283	C4	C2	H7	115.882
C4	C5	H11	112.281	C4	C5	H12	112.281
C5	C3	H8	115.882	C5	C4	H9	112.281
C5	C4	H10	112.281	H9	C4	H10	105.517
H11	C5	H12	105.517

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

using model chemistry: B3LYP/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	0.090
2	C	-0.052
3	C	-0.052
4	C	0.008
5	C	0.008
6	H	-0.031
7	H	-0.026
8	H	-0.026
9	H	0.020
10	H	0.020
11	H	0.020
12	H	0.020

<r²>	100.253
(<r²>)^1/2	10.013

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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