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	hartrees
Energy at 0K	-234.733757
Energy at 298.15K	-234.744673
Nuclear repulsion energy	233.571483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3169	3063	19.29
2	A	3095	2991	24.22
3	A	3088	2984	44.64
4	A	3053	2951	60.22
5	A	3045	2943	23.71
6	A	3037	2935	39.24
7	A	3029	2928	10.68
8	A	3008	2908	42.40
9	A	2993	2894	52.08
10	A	2990	2890	36.87
11	A	1716	1659	3.19
12	A	1511	1460	1.49
13	A	1494	1444	5.32
14	A	1489	1440	3.37
15	A	1487	1437	0.80
16	A	1481	1431	7.73
17	A	1416	1369	1.63
18	A	1364	1318	1.52
19	A	1329	1285	1.52
20	A	1320	1276	2.17
21	A	1293	1250	1.09
22	A	1249	1208	1.47
23	A	1234	1193	1.26
24	A	1172	1133	1.32
25	A	1160	1121	0.97
26	A	1093	1056	1.00
27	A	1037	1003	3.55
28	A	1030	996	6.23
29	A	1025	990	3.31
30	A	938	906	2.08
31	A	914	883	0.38
32	A	900	870	1.13
33	A	875	846	0.26
34	A	836	808	7.66
35	A	804	777	6.88
36	A	662	640	1.41
37	A	581	562	0.06
38	A	446	431	3.61
39	A	321	310	0.62
40	A	242	234	2.18
41	A	182	176	0.61
42	A	126	122	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.756	0.073	-0.002
H2	-0.344	2.171	-0.065
C3	0.023	1.153	-0.022
H4	-2.649	-0.452	0.859
H5	-2.607	-0.553	-0.890
H6	-2.679	1.030	-0.105
C7	-2.249	0.031	-0.037
H8	-0.042	-1.617	1.121
H9	-0.249	-1.965	-0.581
C10	0.070	-1.189	0.118
H11	1.780	-0.916	-1.186
H12	2.250	-1.218	0.477
C13	1.516	-0.711	-0.147
H14	1.879	1.091	1.069
H15	2.102	1.358	-0.646
C16	1.489	0.820	0.081

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1385	1.3319	2.1451	2.1464	2.1499	1.4936	2.1516	2.1793	1.5133	2.9681	3.3067	2.4078	3.0210	3.1988	2.3675
H2	2.1385		1.0828	3.6121	3.6359	2.5985	2.8647	3.9814	4.1695	3.3901	3.9108	4.3024	3.4311	2.7200	2.6420	2.2818
C3	1.3319	1.0828		3.2397	3.2531	2.7059	2.5340	2.9982	3.1802	2.3467	2.9530	3.2912	2.3915	2.1540	2.1797	1.5067
H4	2.1451	3.6121	3.2397		1.7526	1.7682	1.0942	2.8673	3.1819	2.9132	4.9001	4.9734	4.2926	4.7885	5.3021	4.3986
H5	2.1464	3.6359	3.2531	1.7526		1.7686	1.0940	3.4283	2.7654	2.9304	4.4114	5.0894	4.1919	5.1638	5.0876	4.4278
H6	2.1499	2.5985	2.7059	1.7682	1.7686		1.0897	3.9321	3.8860	3.5396	4.9830	5.4484	4.5416	4.7071	4.8221	4.1770
C7	1.4936	2.8647	2.5340	1.0942	1.0940	1.0897		2.9877	2.8773	2.6247	4.2945	4.6972	3.8384	4.4030	4.5889	3.8219
H8	2.1516	3.9814	2.9982	2.8673	3.4283	3.9321	2.9877		1.7500	1.0966	3.0223	2.4145	2.2044	3.3211	4.0712	3.0610
H9	2.1793	4.1695	3.1802	3.1819	2.7654	3.8860	2.8773	1.7500		1.0932	2.3630	2.8155	2.2086	4.0737	4.0717	3.3499
C10	1.5133	3.3901	2.3467	2.9132	2.9304	3.5396	2.6247	1.0966	1.0932		2.1672	2.2094	1.5454	3.0613	3.3462	2.4597
H11	2.9681	3.9108	2.9530	4.9001	4.4114	4.9830	4.2945	3.0223	2.3630	2.1672		1.7547	1.0908	3.0200	2.3594	2.1689
H12	3.3067	4.3024	3.2912	4.9734	5.0894	5.4484	4.6972	2.4145	2.8155	2.2094	1.7547		1.0894	2.4120	2.8143	2.2116
C13	2.4078	3.4311	2.3915	4.2926	4.1919	4.5416	3.8384	2.2044	2.2086	1.5454	1.0908	1.0894		2.2041	2.2076	1.5486
H14	3.0210	2.7200	2.1540	4.7885	5.1638	4.7071	4.4030	3.3211	4.0737	3.0613	3.0200	2.4120	2.2041		1.7498	1.0960
H15	3.1988	2.6420	2.1797	5.3021	5.0876	4.8221	4.5889	4.0712	4.0717	3.3462	2.3594	2.8143	2.2076	1.7498		1.0924
C16	2.3675	2.2818	1.5067	4.3986	4.4278	4.1770	3.8219	3.0610	3.3499	2.4597	2.1689	2.2116	1.5486	1.0960	1.0924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.336	C1	C3	C16	112.887
C1	C7	H4	111.034	C1	C7	H5	111.151
C1	C7	H6	111.702	C1	C10	H8	110.035
C1	C10	H9	112.464	C1	C10	C13	103.845
H2	C3	C16	122.729	C3	C1	C7	127.396
C3	C1	C10	110.977	C3	C16	C13	103.016
C3	C16	H14	110.724	C3	C16	H15	113.025
H4	C7	H5	106.443	H4	C7	H6	108.126
H5	C7	H6	108.174	C7	C1	C10	121.592
H8	C10	H9	106.106	H8	C10	C13	111.980
H9	C10	C13	112.530	C10	C13	H11	109.383
C10	C13	H12	112.832	C10	C13	C16	105.313
H11	C13	H12	107.193	H11	C13	C16	109.297
H12	C13	C16	112.780	C13	C16	H14	111.768
C13	C16	H15	112.266	H14	C16	H15	106.182

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/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	ESP
1	C	0.077	0.197
2	H	0.104	0.139
3	C	-0.195	-0.356
4	H	0.092	0.142
5	H	0.095	0.148
6	H	0.094	0.154
7	C	-0.291	-0.552
8	H	0.082	0.003
9	H	0.082	-0.009
10	C	-0.168	0.090
11	H	0.087	0.050
12	H	0.088	0.034
13	C	-0.170	-0.175
14	H	0.083	0.003
15	H	0.085	-0.005
16	C	-0.145	0.139

	x	y	z	Total
	-0.136	-0.198	0.056	0.247
CHELPG
AIM
ESP	-0.144	-0.213	0.065	0.265

	x	y	z
x	11.937	0.830	0.046
y	0.830	10.837	-0.084
z	0.046	-0.084	7.883

<r²>	170.532
(<r²>)^1/2	13.059

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)