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	hartrees
Energy at 0K	-193.696071
Energy at 298.15K	-193.703299
HF Energy	-193.312677
Nuclear repulsion energy	160.589175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3140	19.02
2	A₁	3204	3086	7.79
3	A₁	3032	2920	48.06
4	A₁	1533	1477	6.20
5	A₁	1499	1443	0.55
6	A₁	1300	1252	1.97
7	A₁	1131	1089	5.83
8	A₁	1041	1003	0.33
9	A₁	902	869	4.60
10	A₁	822	791	0.00
11	A₂	3065	2952	0.00
12	A₂	1242	1196	0.00
13	A₂	1038	1000	0.00
14	A₂	588	566	0.00
15	A₂	117	112	0.00
16	B₁	3085	2971	65.30
17	B₁	1159	1116	4.13
18	B₁	985	949	12.14
19	B₁	843	812	0.30
20	B₁	598	576	98.46
21	B₁	443	426	11.14
22	B₂	3243	3123	16.54
23	B₂	3019	2907	40.80
24	B₂	1514	1459	1.60
25	B₂	1402	1350	10.87
26	B₂	1348	1298	0.89
27	B₂	1291	1243	4.03
28	B₂	1094	1054	0.58
29	B₂	899	866	17.72
30	B₂	724	698	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.289
C2	0.000	1.166	0.520
C3	0.000	-1.166	0.520
C4	0.000	0.789	-0.986
C5	0.000	-0.789	-0.986
H6	0.000	0.000	2.382
H7	0.000	2.236	0.732
H8	0.000	-2.236	0.732
H9	0.892	1.200	-1.499
H10	-0.892	1.200	-1.499
H11	0.892	-1.200	-1.499
H12	-0.892	-1.200	-1.499

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3967	1.3967	2.4077	2.4077	1.0926	2.3039	2.3039	3.1633	3.1633	3.1633	3.1633
C2	1.3967		2.3323	1.5524	2.4681	2.1965	1.0903	3.4084	2.2073	2.2073	3.2359	3.2359
C3	1.3967	2.3323		2.4681	1.5524	2.1965	3.4084	1.0903	3.2359	3.2359	2.2073	2.2073
C4	2.4077	1.5524	2.4681		1.5784	3.4586	2.2459	3.4787	1.1077	1.1077	2.2397	2.2397
C5	2.4077	2.4681	1.5524	1.5784		3.4586	3.4787	2.2459	2.2397	2.2397	1.1077	1.1077
H6	1.0926	2.1965	2.1965	3.4586	3.4586		2.7782	2.7782	4.1584	4.1584	4.1584	4.1584
H7	2.3039	1.0903	3.4084	2.2459	3.4787	2.7782		4.4714	2.6161	2.6161	4.1927	4.1927
H8	2.3039	3.4084	1.0903	3.4787	2.2459	2.7782	4.4714		4.1927	4.1927	2.6161	2.6161
H9	3.1633	2.2073	3.2359	1.1077	2.2397	4.1584	2.6161	4.1927		1.7831	2.4007	2.9905
H10	3.1633	2.2073	3.2359	1.1077	2.2397	4.1584	2.6161	4.1927	1.7831		2.9905	2.4007
H11	3.1633	3.2359	2.2073	2.2397	1.1077	4.1584	4.1927	2.6161	2.4007	2.9905		1.7831
H12	3.1633	3.2359	2.2073	2.2397	1.1077	4.1584	4.1927	2.6161	2.9905	2.4007	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.339	C1	C2	H7	135.390
C1	C3	C5	109.339	C1	C3	H8	135.390
C2	C1	C3	113.215	C2	C1	H6	123.393
C2	C4	C5	104.053	C2	C4	H9	111.043
C2	C4	H10	111.043	C3	C1	H6	123.393
C3	C5	C4	104.053	C3	C5	H11	111.043
C3	C5	H12	111.043	C4	C2	H7	115.270
C4	C5	H11	111.788	C4	C5	H12	111.788
C5	C3	H8	115.270	C5	C4	H9	111.788
C5	C4	H10	111.788	H9	C4	H10	107.194
H11	C5	H12	107.194

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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