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	hartrees
Energy at 0K	-194.171998
Energy at 298.15K	-194.179317
HF Energy	-193.391969
Nuclear repulsion energy	164.521786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3120	5.36
2	A₁	3259	3063	6.59
3	A₁	3106	2919	24.12
4	A₁	1549	1455	0.05
5	A₁	1524	1432	3.19
6	A₁	1310	1231	0.42
7	A₁	1142	1074	3.28
8	A₁	1077	1012	0.02
9	A₁	952	895	2.56
10	A₁	827	777	0.30
11	A₂	3134	2946	0.00
12	A₂	1270	1194	0.00
13	A₂	1017	956	0.00
14	A₂	663	624	0.00
15	A₂	94	88	0.00
16	B₁	3152	2962	25.33
17	B₁	1181	1110	3.17
18	B₁	1032	970	3.17
19	B₁	829	780	3.68
20	B₁	650	611	48.58
21	B₁	443	417	7.00
22	B₂	3307	3109	2.17
23	B₂	3096	2910	23.68
24	B₂	1503	1413	0.74
25	B₂	1407	1323	9.28
26	B₂	1324	1244	0.05
27	B₂	1311	1232	4.13
28	B₂	1088	1023	0.18
29	B₂	932	876	16.52
30	B₂	727	683	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.256
C2	0.000	1.135	0.503
C3	0.000	-1.135	0.503
C4	0.000	0.768	-0.958
C5	0.000	-0.768	-0.958
H6	0.000	0.000	2.338
H7	0.000	2.187	0.732
H8	0.000	-2.187	0.732
H9	0.874	1.180	-1.468
H10	-0.874	1.180	-1.468
H11	0.874	-1.180	-1.468
H12	-0.874	-1.180	-1.468

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3620	1.3620	2.3433	2.3433	1.0821	2.2494	2.2494	3.0948	3.0948	3.0948	3.0948
C2	1.3620		2.2697	1.5060	2.3992	2.1577	1.0773	3.3302	2.1567	2.1567	3.1636	3.1636
C3	1.3620	2.2697		2.3992	1.5060	2.1577	3.3302	1.0773	3.1636	3.1636	2.1567	2.1567
C4	2.3433	1.5060	2.3992		1.5368	3.3842	2.2066	3.4048	1.0925	1.0925	2.1956	2.1956
C5	2.3433	2.3992	1.5060	1.5368		3.3842	3.4048	2.2066	2.1956	2.1956	1.0925	1.0925
H6	1.0821	2.1577	2.1577	3.3842	3.3842		2.7138	2.7138	4.0798	4.0798	4.0798	4.0798
H7	2.2494	1.0773	3.3302	2.2066	3.4048	2.7138		4.3750	2.5728	2.5728	4.1165	4.1165
H8	2.2494	3.3302	1.0773	3.4048	2.2066	2.7138	4.3750		4.1165	4.1165	2.5728	2.5728
H9	3.0948	2.1567	3.1636	1.0925	2.1956	4.0798	2.5728	4.1165		1.7475	2.3603	2.9368
H10	3.0948	2.1567	3.1636	1.0925	2.1956	4.0798	2.5728	4.1165	1.7475		2.9368	2.3603
H11	3.0948	3.1636	2.1567	2.1956	1.0925	4.0798	4.1165	2.5728	2.3603	2.9368		1.7475
H12	3.0948	3.1636	2.1567	2.1956	1.0925	4.0798	4.1165	2.5728	2.9368	2.3603	1.7475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.484	C1	C2	H7	134.157
C1	C3	C5	109.484	C1	C3	H8	134.157
C2	C1	C3	112.864	C2	C1	H6	123.568
C2	C4	C5	104.084	C2	C4	H9	111.194
C2	C4	H10	111.194	C3	C1	H6	123.568
C3	C5	C4	104.084	C3	C5	H11	111.194
C3	C5	H12	111.194	C4	C2	H7	116.359
C4	C5	H11	112.140	C4	C5	H12	112.140
C5	C3	H8	116.359	C5	C4	H9	112.140
C5	C4	H10	112.140	H9	C4	H10	106.215
H11	C5	H12	106.215

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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