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	hartrees
Energy at 0K	-195.089634
Energy at 298.15K	-195.098450
Nuclear repulsion energy	170.630527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3094	31.82
2	A'	3035	3004	46.02
3	A'	2997	2966	61.29
4	A'	2976	2945	5.74
5	A'	2932	2901	37.61
6	A'	1637	1620	1.86
7	A'	1470	1455	3.20
8	A'	1445	1430	2.04
9	A'	1287	1274	1.39
10	A'	1200	1188	1.46
11	A'	1095	1083	0.21
12	A'	1034	1023	5.78
13	A'	963	953	1.03
14	A'	896	887	0.70
15	A'	803	795	0.32
16	A'	685	678	35.48
17	A'	591	585	15.01
18	A'	146	144	0.25
19	A"	3101	3069	11.73
20	A"	2986	2955	39.56
21	A"	2933	2903	58.22
22	A"	1451	1436	3.11
23	A"	1340	1326	1.63
24	A"	1288	1274	0.27
25	A"	1264	1251	2.17
26	A"	1191	1179	0.00
27	A"	1125	1113	1.58
28	A"	1022	1011	1.91
29	A"	918	908	0.00
30	A"	903	894	10.56
31	A"	873	864	2.08
32	A"	763	755	0.30
33	A"	382	378	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.274	-1.202	0.000
C2	-0.070	-0.328	1.235
C3	-0.070	-0.328	-1.235
C4	-0.070	1.074	0.671
C5	-0.070	1.074	-0.671
H6	1.355	-1.418	0.000
H7	-0.249	-2.170	0.000
H8	-1.066	-0.577	1.651
H9	-1.066	-0.577	-1.651
H10	-0.112	1.968	1.298
H11	-0.112	1.968	-1.298
H12	0.647	-0.463	-2.062
H13	0.647	-0.463	2.062

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5514	1.5514	2.3975	2.3975	1.1019	1.1002	2.2168	2.2168	3.4478	3.4478	2.2220	2.2220
C2	1.5514		2.4696	1.5115	2.3657	2.1780	2.2242	1.1075	3.0630	2.2981	3.4196	3.3769	1.1033
C3	1.5514	2.4696		2.3657	1.5115	2.1780	2.2242	3.0630	1.1075	3.4196	2.2981	1.1033	3.3769
C4	2.3975	1.5115	2.3657		1.3411	2.9481	3.3169	2.1627	3.0177	1.0937	2.1629	3.2165	2.1941
C5	2.3975	2.3657	1.5115	1.3411		2.9481	3.3169	3.0177	2.1627	2.1629	1.0937	2.1941	3.2165
H6	1.1019	2.1780	2.1780	2.9481	2.9481		1.7714	3.0489	3.0489	3.9125	3.9125	2.3803	2.3803
H7	1.1002	2.2242	2.2242	3.3169	3.3169	1.7714		2.4354	2.4354	4.3392	4.3392	2.8226	2.8226
H8	2.2168	1.1075	3.0630	2.1627	3.0177	3.0489	2.4354		3.3023	2.7409	4.0108	4.0910	1.7652
H9	2.2168	3.0630	1.1075	3.0177	2.1627	3.0489	2.4354	3.3023		4.0108	2.7409	1.7652	4.0910
H10	3.4478	2.2981	3.4196	1.0937	2.1629	3.9125	4.3392	2.7409	4.0108		2.5964	4.2170	2.6597
H11	3.4478	3.4196	2.2981	2.1629	1.0937	3.9125	4.3392	4.0108	2.7409	2.5964		2.6597	4.2170
H12	2.2220	3.3769	1.1033	3.2165	2.1941	2.3803	2.8226	4.0910	1.7652	4.2170	2.6597		4.1245
H13	2.2220	1.1033	3.3769	2.1941	3.2165	2.3803	2.8226	1.7652	4.0910	2.6597	4.2170	4.1245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	103.021	C1	C2	H8	111.883
C1	C2	H13	112.556	C1	C3	C5	103.021
C1	C3	H9	111.883	C1	C3	H12	112.556
C2	C1	C3	105.485	C2	C1	H6	109.169
C2	C1	H7	112.925	C2	C4	C5	111.920
C2	C4	H10	123.000	C3	C1	H6	109.169
C3	C1	H7	112.925	C3	C5	C4	111.920
C3	C5	H11	123.000	C4	C2	H8	110.387
C4	C2	H13	113.172	C4	C5	H11	125.023
C5	C3	H9	110.387	C5	C3	H12	113.172
C5	C4	H10	125.023	H6	C1	H7	107.107
H8	C2	H13	105.967	H9	C3	H12	105.967

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: PBEPBE/6-311G*

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	-0.440
2	C	-0.446
3	C	-0.446
4	C	-0.165
5	C	-0.165
6	H	0.221
7	H	0.214
8	H	0.216
9	H	0.216
10	H	0.182
11	H	0.182
12	H	0.217
13	H	0.217

	x	y	z	Total
	-0.057	-0.172	0.000	0.181
CHELPG
AIM
ESP

	x	y	z
x	6.056	-0.098	0.000
y	-0.098	8.283	0.000
z	0.000	0.000	9.629

<r²>	105.785
(<r²>)^1/2	10.285

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)