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	hartrees
Energy at 0K	-233.094478
Energy at 298.15K	-233.105974
Nuclear repulsion energy	235.955545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3038	24.89
2	A	3308	3012	11.71
3	A	3215	2927	95.71
4	A	3206	2918	17.59
5	A	3204	2917	54.42
6	A	3188	2902	54.26
7	A	3165	2882	30.72
8	A	3147	2865	27.57
9	A	3143	2861	58.13
10	A	3113	2834	33.19
11	A	1814	1651	3.53
12	A	1628	1482	1.30
13	A	1615	1470	4.13
14	A	1612	1468	4.48
15	A	1606	1462	0.76
16	A	1533	1396	2.44
17	A	1517	1381	7.79
18	A	1465	1334	0.48
19	A	1456	1325	0.84
20	A	1432	1304	4.91
21	A	1418	1291	0.96
22	A	1340	1220	0.82
23	A	1305	1188	0.78
24	A	1234	1123	1.37
25	A	1214	1105	3.44
26	A	1200	1093	9.74
27	A	1143	1040	1.84
28	A	1091	994	0.29
29	A	1067	971	1.11
30	A	1042	948	1.60
31	A	1007	916	0.95
32	A	965	878	3.73
33	A	916	834	2.86
34	A	883	804	1.72
35	A	815	742	38.76
36	A	810	738	4.83
37	A	629	573	4.48
38	A	534	486	1.87
39	A	366	333	0.05
40	A	308	280	0.07
41	A	258	235	0.04
42	A	123	112	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.279	2.200	0.105
C2	0.107	1.198	0.094
H3	2.141	1.578	-0.378
C4	1.359	0.877	-0.156
H5	2.143	-0.835	0.870
H6	2.181	-1.006	-0.863
C7	1.596	-0.608	-0.042
H8	0.067	-2.039	0.637
H9	-0.117	-1.489	-1.009
C10	0.164	-1.176	-0.010
H11	-0.899	-0.037	1.499
C12	-0.746	-0.006	0.421
H13	-2.717	0.833	0.087
H14	-2.663	-0.915	-0.004
H15	-2.026	0.051	-1.323
C16	-2.118	-0.009	-0.244

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0746	2.5459	2.1221	3.9577	4.1560	3.3800	4.2863	3.8576	3.4074	2.7077	2.2769	2.7944	3.9245	3.1157	2.8954
C2	1.0746		2.1223	1.3158	2.9793	3.1737	2.3440	3.2821	2.9134	2.3770	2.1241	1.5114	2.8475	3.4860	2.8059	2.5543
H3	2.5459	2.1223		1.0738	2.7164	2.6295	2.2779	4.2912	3.8608	3.4104	3.9210	3.3887	4.9368	5.4260	4.5375	4.5477
C4	2.1221	1.3158	1.0738		2.1440	2.1730	1.5081	3.2863	2.9164	2.3800	2.9446	2.3542	4.0830	4.4061	3.6742	3.5894
H5	3.9577	2.9793	2.7164	2.1440		1.7413	1.0870	2.4109	3.0108	2.1920	3.2067	3.0384	5.1969	4.8855	4.7927	4.4811
H6	4.1560	3.1737	2.6295	2.1730	1.7413		1.0839	2.7901	2.3525	2.1964	4.0001	3.3489	5.3172	4.9206	4.3619	4.4567
C7	3.3800	2.3440	2.2779	1.5081	1.0870	1.0839		2.2012	2.1554	1.5407	2.9871	2.4617	4.5487	4.2704	3.8976	3.7677
H8	4.2863	3.2821	4.2912	3.2863	2.4109	2.7901	2.2012		1.7455	1.0826	2.3837	2.2000	4.0372	3.0212	3.5483	3.1102
H9	3.8576	2.9134	3.8608	2.9164	3.0108	2.3525	2.1554	1.7455		1.0845	3.0020	2.1548	3.6546	2.7974	2.4730	2.6047
C10	3.4074	2.3770	3.4104	2.3800	2.1920	2.1964	1.5407	1.0826	1.0845		2.1687	1.5439	3.5136	2.8394	2.8331	2.5744
H11	2.7077	2.1241	3.9210	2.9446	3.2067	4.0001	2.9871	2.3837	3.0020	2.1687		1.0889	2.4605	2.4787	3.0401	2.1275
C12	2.2769	1.5114	3.3887	2.3542	3.0384	3.3489	2.4617	2.2000	2.1548	1.5439	1.0889		2.1678	2.1645	2.1644	1.5253
H13	2.7944	2.8475	4.9368	4.0830	5.1969	5.3172	4.5487	4.0372	3.6546	3.5136	2.4605	2.1678		1.7517	1.7547	1.0847
H14	3.9245	3.4860	5.4260	4.4061	4.8855	4.9206	4.2704	3.0212	2.7974	2.8394	2.4787	2.1645	1.7517		1.7553	1.0847
H15	3.1157	2.8059	4.5375	3.6742	4.7927	4.3619	3.8976	3.5483	2.4730	2.8331	3.0401	2.1644	1.7547	1.7553		1.0847
C16	2.8954	2.5543	4.5477	3.5894	4.4811	4.4567	3.7677	3.1102	2.6047	2.5744	2.1275	1.5253	1.0847	1.0847	1.0847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.885	H1	C2	C12	122.504
C2	C4	H3	124.975	C2	C4	C7	112.033
C2	C12	C10	102.152	C2	C12	H11	108.457
C2	C12	C16	114.520	H3	C4	C7	122.951
C4	C2	C12	112.575	C4	C7	H5	110.364
C4	C7	H6	112.913	C4	C7	C10	102.636
H5	C7	H6	106.665	H5	C7	C10	111.910
H6	C7	C10	112.453	C7	C10	H8	112.934
C7	C10	H9	109.144	C7	C10	C12	105.896
H8	C10	H9	107.312	H8	C10	C12	112.600
H9	C10	C12	108.878	C10	C12	H11	109.717
C10	C12	C16	114.025	H11	C12	C16	107.772
C12	C16	H13	111.193	C12	C16	H14	110.922
C12	C16	H15	110.911	H13	C16	H14	107.699
H13	C16	H15	107.958	H14	C16	H15	108.015

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

using model chemistry: HF/aug-cc-pVTZ

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	0.451
2	C	-0.946
3	H	0.521
4	C	-0.654
5	H	0.219
6	H	0.287
7	C	-0.368
8	H	0.285
9	H	0.209
10	C	-0.542
11	H	0.340
12	C	0.290
13	H	0.264
14	H	0.251
15	H	0.314
16	C	-0.921

	x	y	z	Total
	-0.010	-0.198	0.168	0.260
CHELPG
AIM
ESP

	x	y	z
x	11.901	-0.317	-0.298
y	-0.317	9.715	-0.011
z	-0.298	-0.011	8.291

<r²>	163.819
(<r²>)^1/2	12.799

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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