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	hartrees
Energy at 0K	-33.000209
Energy at 298.15K	-33.009144
Nuclear repulsion energy	91.648650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3094	41.00
2	A'	3069	2991	80.84
3	A'	3028	2951	77.90
4	A'	3003	2926	23.68
5	A'	2968	2892	35.11
6	A'	1646	1604	2.84
7	A'	1529	1490	3.29
8	A'	1508	1470	1.49
9	A'	1326	1293	0.97
10	A'	1228	1196	2.24
11	A'	1129	1100	0.11
12	A'	1080	1053	8.01
13	A'	971	946	2.33
14	A'	894	871	0.90
15	A'	817	796	0.71
16	A'	720	701	45.00
17	A'	626	610	14.53
18	A'	128	124	0.31
19	A"	3142	3062	12.89
20	A"	3020	2943	33.77
21	A"	2969	2893	95.91
22	A"	1514	1476	3.11
23	A"	1374	1339	1.49
24	A"	1322	1288	0.89
25	A"	1308	1275	1.51
26	A"	1223	1192	0.01
27	A"	1152	1122	1.18
28	A"	1049	1023	0.91
29	A"	976	951	0.05
30	A"	919	895	6.55
31	A"	893	870	5.80
32	A"	779	759	0.50
33	A"	384	374	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.242	-1.206	0.000
C2	-0.064	-0.308	1.253
C3	-0.064	-0.308	-1.253
C4	-0.064	1.111	0.678
C5	-0.064	1.111	-0.678
H6	1.305	-1.485	0.000
H7	-0.340	-2.136	0.000
H8	-1.045	-0.548	1.697
H9	-1.045	-0.548	-1.697
H10	-0.093	2.001	1.304
H11	-0.093	2.001	-1.304
H12	0.681	-0.441	-2.051
H13	0.681	-0.441	2.051

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5719	1.5719	2.4336	2.4336	1.0985	1.0970	2.2292	2.2292	3.4783	3.4783	2.2327	2.2327
C2	1.5719		2.5064	1.5315	2.3962	2.1974	2.2332	1.1030	3.1180	2.3096	3.4455	3.3899	1.0996
C3	1.5719	2.5064		2.3962	1.5315	2.1974	2.2332	3.1180	1.1030	3.4455	2.3096	1.0996	3.3899
C4	2.4336	1.5315	2.3962		1.3550	3.0118	3.3282	2.1801	3.0579	1.0886	2.1723	3.2265	2.2026
C5	2.4336	2.3962	1.5315	1.3550		3.0118	3.3282	3.0579	2.1801	2.1723	1.0886	2.2026	3.2265
H6	1.0985	2.1974	2.1974	3.0118	3.0118		1.7695	3.0461	3.0461	3.9756	3.9756	2.3845	2.3845
H7	1.0970	2.2332	2.2332	3.3282	3.3282	1.7695		2.4283	2.4283	4.3441	4.3441	2.8499	2.8499
H8	2.2292	1.1030	3.1180	2.1801	3.0579	3.0461	2.4283		3.3934	2.7485	4.0502	4.1276	1.7651
H9	2.2292	3.1180	1.1030	3.0579	2.1801	3.0461	2.4283	3.3934		4.0502	2.7485	1.7651	4.1276
H10	3.4783	2.3096	3.4455	1.0886	2.1723	3.9756	4.3441	2.7485	4.0502		2.6081	4.2215	2.6686
H11	3.4783	3.4455	2.3096	2.1723	1.0886	3.9756	4.3441	4.0502	2.7485	2.6081		2.6686	4.2215
H12	2.2327	3.3899	1.0996	3.2265	2.2026	2.3845	2.8499	4.1276	1.7651	4.2215	2.6686		4.1024
H13	2.2327	1.0996	3.3899	2.2026	3.2265	2.3845	2.8499	1.7651	4.1276	2.6686	4.2215	4.1024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.284	C1	C2	H8	111.693
C1	C2	H13	112.176	C1	C3	C5	103.284
C1	C3	H9	111.693	C1	C3	H12	112.176
C2	C1	C3	105.736	C2	C1	H6	109.466
C2	C1	H7	112.370	C2	C4	C5	112.081
C2	C4	H10	122.753	C3	C1	H6	109.466
C3	C1	H7	112.370	C3	C5	C4	112.081
C3	C5	H11	122.753	C4	C2	H8	110.634
C4	C2	H13	112.648	C4	C5	H11	125.137
C5	C3	H9	110.634	C5	C3	H12	112.648
C5	C4	H10	125.137	H6	C1	H7	107.406
H8	C2	H13	106.520	H9	C3	H12	106.520

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B3LYP/CEP-121G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.282
2	C	-0.337
3	C	-0.337
4	C	-0.082
5	C	-0.082
6	H	0.141
7	H	0.130
8	H	0.140
9	H	0.140
10	H	0.147
11	H	0.147
12	H	0.137
13	H	0.137

	x	y	z	Total
	-0.056	-0.234	0.000	0.240
CHELPG
AIM
ESP

	x	y	z
x	6.186	-0.062	0.000
y	-0.062	8.239	0.000
z	0.000	0.000	9.841

<r²>	91.113
(<r²>)^1/2	9.545

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)