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	hartrees
Energy at 0K	-234.326114
Energy at 298.15K	-234.337018
Nuclear repulsion energy	233.740364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3137	3104	25.26
2	A	3110	3078	7.18
3	A	3047	3016	34.33
4	A	3047	3015	25.63
5	A	3039	3008	23.63
6	A	2997	2966	35.51
7	A	2975	2945	23.62
8	A	2967	2936	25.33
9	A	2942	2912	40.30
10	A	2907	2877	29.47
11	A	1636	1620	1.30
12	A	1450	1435	3.49
13	A	1447	1433	3.76
14	A	1444	1429	1.35
15	A	1428	1414	0.68
16	A	1358	1344	1.18
17	A	1338	1324	3.48
18	A	1292	1278	1.91
19	A	1279	1265	1.46
20	A	1266	1253	2.66
21	A	1249	1236	0.81
22	A	1186	1174	0.72
23	A	1162	1150	0.27
24	A	1111	1100	0.78
25	A	1082	1071	4.08
26	A	1071	1060	3.15
27	A	1041	1031	2.43
28	A	981	971	1.88
29	A	942	933	1.20
30	A	931	922	1.56
31	A	927	917	0.29
32	A	893	884	2.75
33	A	835	827	2.03
34	A	802	794	1.05
35	A	739	731	2.11
36	A	720	712	22.38
37	A	569	563	3.90
38	A	481	476	2.13
39	A	331	328	0.03
40	A	276	273	0.14
41	A	230	228	0.03
42	A	112	111	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.303	2.224	0.112
C2	0.100	1.207	0.096
H3	2.176	1.588	-0.387
C4	1.375	0.880	-0.162
H5	2.165	-0.838	0.889
H6	2.212	-1.024	-0.866
C7	1.607	-0.609	-0.041
H8	0.065	-2.062	0.644
H9	-0.123	-1.494	-1.026
C10	0.167	-1.180	-0.008
H11	-0.912	-0.035	1.523
C12	-0.753	-0.003	0.425
H13	-2.744	0.846	0.075
H14	-2.689	-0.932	0.001
H15	-2.031	0.037	-1.345
C16	-2.132	-0.013	-0.247

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0937	2.6071	2.1668	4.0086	4.2226	3.4203	4.3347	3.8925	3.4386	2.7321	2.2931	2.8042	3.9583	3.1457	2.9121
C2	1.0937		2.1657	1.3414	3.0127	3.2196	2.3645	3.3150	2.9334	2.3906	2.1451	1.5158	2.8670	3.5158	2.8260	2.5665
H3	2.6071	2.1657		1.0931	2.7418	2.6559	2.2960	4.3411	3.8981	3.4419	3.9773	3.4302	4.9975	5.4926	4.5852	4.5981
C4	2.1668	1.3414	1.0931		2.1636	2.1957	1.5119	3.3196	2.9369	2.3931	2.9841	2.3765	4.1259	4.4520	3.7024	3.6194
H5	4.0086	3.0127	2.7418	2.1636		1.7656	1.1080	2.4425	3.0548	2.2164	3.2423	3.0698	5.2533	4.9347	4.8329	4.5201
H6	4.2226	3.2196	2.6559	2.1957	1.7656		1.1040	2.8230	2.3879	2.2240	4.0555	3.3910	5.3804	4.9779	4.3998	4.5030
C7	3.4203	2.3645	2.2960	1.5119	1.1080	1.1040		2.2270	2.1793	1.5503	3.0205	2.4807	4.5900	4.3085	3.9185	3.7922
H8	4.3347	3.3150	4.3411	3.3196	2.4425	2.8230	2.2270		1.7740	1.1011	2.4162	2.2267	4.0832	3.0452	3.5710	3.1335
H9	3.8925	2.9334	3.8981	2.9369	3.0548	2.3879	2.1793	1.7740		1.1045	3.0412	2.1734	3.6817	2.8197	2.4663	2.6142
C10	3.4386	2.3906	3.4419	2.3931	2.2164	2.2240	1.5503	1.1011	1.1045		2.1951	1.5551	3.5476	2.8661	2.8457	2.5890
H11	2.7321	2.1451	3.9773	2.9841	3.2423	4.0555	3.0205	2.4162	3.0412	2.1951		1.1105	2.4961	2.5058	3.0790	2.1498
C12	2.2931	1.5158	3.4302	2.3765	3.0698	3.3910	2.4807	2.2267	2.1734	1.5551	1.1105		2.1931	2.1891	2.1831	1.5342
H13	2.8042	2.8670	4.9975	4.1259	5.2533	5.3804	4.5900	4.0832	3.6817	3.5476	2.4961	2.1931		1.7803	1.7827	1.1028
H14	3.9583	3.5158	5.4926	4.4520	4.9347	4.9779	4.3085	3.0452	2.8197	2.8661	2.5058	2.1891	1.7803		1.7836	1.1028
H15	3.1457	2.8260	4.5852	3.7024	4.8329	4.3998	3.9185	3.5710	2.4663	2.8457	3.0790	2.1831	1.7827	1.7836		1.1033
C16	2.9121	2.5665	4.5981	3.6194	4.5201	4.5030	3.7922	3.1335	2.6142	2.5890	2.1498	1.5342	1.1028	1.1028	1.1033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.398	H1	C2	C12	122.151
C2	C4	H3	125.336	C2	C4	C7	111.793
C2	C12	C10	102.232	C2	C12	H11	108.546
C2	C12	C16	114.586	H3	C4	C7	122.809
C4	C2	C12	112.416	C4	C7	H5	110.400
C4	C7	H6	113.229	C4	C7	C10	102.793
H5	C7	H6	105.915	H5	C7	C10	111.895
H6	C7	C10	112.756	C7	C10	H8	113.181
C7	C10	H9	109.200	C7	C10	C12	106.040
H8	C10	H9	107.090	H8	C10	C12	112.802
H9	C10	C12	108.423	C10	C12	H11	109.746
C10	C12	C16	113.871	H11	C12	C16	107.680
C12	C16	H13	111.493	C12	C16	H14	111.172
C12	C16	H15	110.668	H13	C16	H14	107.641
H13	C16	H15	107.818	H14	C16	H15	107.890

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: PBEPBE/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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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	H	0.090
2	C	-0.060
3	H	0.093
4	C	-0.075
5	H	0.116
6	H	0.112
7	C	-0.275
8	H	0.104
9	H	0.111
10	C	-0.233
11	H	0.088
12	C	-0.013
13	H	0.122
14	H	0.123
15	H	0.126
16	C	-0.429

	x	y	z	Total
	-0.007	-0.145	0.122	0.190
CHELPG
AIM
ESP

	x	y	z
x	11.486	-0.326	-0.444
y	-0.326	9.381	-0.092
z	-0.444	-0.092	7.312

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)