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	hartrees
Energy at 0K	-195.085688
Energy at 298.15K	-195.094645
HF Energy	-195.085688
Nuclear repulsion energy	171.549308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3083	24.52
2	A'	3146	2990	36.65
3	A'	3106	2951	48.41
4	A'	3086	2933	9.43
5	A'	3044	2893	27.12
6	A'	1723	1638	1.36
7	A'	1534	1458	1.35
8	A'	1506	1431	1.49
9	A'	1354	1287	0.65
10	A'	1247	1185	1.33
11	A'	1140	1084	0.16
12	A'	1080	1027	5.41
13	A'	1001	951	0.93
14	A'	932	886	0.49
15	A'	836	795	0.44
16	A'	721	686	31.06
17	A'	609	579	11.78
18	A'	151	143	0.23
19	A"	3219	3059	7.37
20	A"	3099	2945	27.10
21	A"	3045	2893	55.48
22	A"	1514	1439	1.11
23	A"	1403	1333	1.53
24	A"	1345	1278	0.54
25	A"	1319	1254	1.92
26	A"	1247	1185	0.00
27	A"	1165	1107	1.63
28	A"	1066	1013	1.79
29	A"	977	928	0.13
30	A"	941	894	9.11
31	A"	909	863	1.33
32	A"	785	746	0.22
33	A"	394	374	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.278	-1.194	0.000
C2	-0.072	-0.328	1.228
C3	-0.072	-0.328	-1.228
C4	-0.072	1.068	0.667
C5	-0.072	1.068	-0.667
H6	1.354	-1.397	0.000
H7	-0.236	-2.160	0.000
H8	-1.063	-0.577	1.637
H9	-1.063	-0.577	-1.637
H10	-0.112	1.957	1.292
H11	-0.112	1.957	-1.292
H12	0.642	-0.462	-2.051
H13	0.642	-0.462	2.051

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5426	1.5426	2.3839	2.3839	1.0958	1.0943	2.2039	2.2039	3.4269	3.4269	2.2080	2.2080
C2	1.5426		2.4569	1.5054	2.3543	2.1646	2.2116	1.1007	3.0421	2.2860	3.4021	3.3590	1.0970
C3	1.5426	2.4569		2.3543	1.5054	2.1646	2.2116	3.0421	1.1007	3.4021	2.2860	1.0970	3.3590
C4	2.3839	1.5054	2.3543		1.3336	2.9255	3.3006	2.1519	2.9995	1.0868	2.1512	3.1998	2.1835
C5	2.3839	2.3543	1.5054	1.3336		2.9255	3.3006	2.9995	2.1519	2.1512	1.0868	2.1835	3.1998
H6	1.0958	2.1646	2.1646	2.9255	2.9255		1.7634	3.0325	3.0325	3.8818	3.8818	2.3645	2.3645
H7	1.0943	2.2116	2.2116	3.3006	3.3006	1.7634		2.4227	2.4227	4.3162	4.3162	2.8036	2.8036
H8	2.2039	1.1007	3.0421	2.1519	2.9995	3.0325	2.4227		3.2737	2.7279	3.9876	4.0646	1.7581
H9	2.2039	3.0421	1.1007	2.9995	2.1519	3.0325	2.4227	3.2737		3.9876	2.7279	1.7581	4.0646
H10	3.4269	2.2860	3.4021	1.0868	2.1512	3.8818	4.3162	2.7279	3.9876		2.5841	4.1946	2.6444
H11	3.4269	3.4021	2.2860	2.1512	1.0868	3.8818	4.3162	3.9876	2.7279	2.5841		2.6444	4.1946
H12	2.2080	3.3590	1.0970	3.1998	2.1835	2.3645	2.8036	4.0646	1.7581	4.1946	2.6444		4.1025
H13	2.2080	1.0970	3.3590	2.1835	3.1998	2.3645	2.8036	1.7581	4.0646	2.6444	4.1946	4.1025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.905	C1	C2	H8	111.880
C1	C2	H13	112.439	C1	C3	C5	102.905
C1	C3	H9	111.880	C1	C3	H12	112.439
C2	C1	C3	105.560	C2	C1	H6	109.075
C2	C1	H7	112.901	C2	C4	C5	111.906
C2	C4	H10	122.921	C3	C1	H6	109.075
C3	C1	H7	112.901	C3	C5	C4	111.906
C3	C5	H11	122.921	C4	C2	H8	110.362
C4	C2	H13	113.138	C4	C5	H11	125.120
C5	C3	H9	110.362	C5	C3	H12	113.138
C5	C4	H10	125.120	H6	C1	H7	107.255
H8	C2	H13	106.245	H9	C3	H12	106.245

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBE1PBE/6-31G*

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	-0.346
2	C	-0.365
3	C	-0.365
4	C	-0.141
5	C	-0.141
6	H	0.176
7	H	0.168
8	H	0.175
9	H	0.175
10	H	0.159
11	H	0.159
12	H	0.172
13	H	0.172

	x	y	z	Total
	-0.051	-0.151	0.000	0.160
CHELPG
AIM
ESP

	x	y	z
x	5.365	-0.070	0.000
y	-0.070	7.378	0.000
z	0.000	0.000	8.796

<r²>	104.351
(<r²>)^1/2	10.215

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)