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	hartrees
Energy at 0K	-234.520630
Energy at 298.15K	-234.531709
Nuclear repulsion energy	235.512004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3084	25.86
2	A	3203	3059	7.36
3	A	3139	2997	43.72
4	A	3138	2996	24.63
5	A	3131	2989	25.87
6	A	3095	2955	35.26
7	A	3066	2928	26.36
8	A	3055	2917	27.61
9	A	3037	2900	42.85
10	A	3007	2871	30.51
11	A	1716	1638	1.08
12	A	1508	1439	3.81
13	A	1505	1437	3.94
14	A	1504	1436	1.92
15	A	1485	1418	1.17
16	A	1414	1350	2.10
17	A	1400	1337	4.40
18	A	1345	1285	0.96
19	A	1333	1273	0.65
20	A	1316	1256	3.58
21	A	1295	1237	0.94
22	A	1233	1178	0.68
23	A	1207	1152	0.30
24	A	1150	1098	0.46
25	A	1122	1071	4.43
26	A	1109	1059	3.41
27	A	1077	1028	2.87
28	A	1013	967	1.98
29	A	977	933	0.13
30	A	969	925	2.40
31	A	958	915	0.58
32	A	926	884	2.53
33	A	866	827	2.07
34	A	831	794	1.18
35	A	755	721	5.06
36	A	742	709	24.10
37	A	577	551	3.82
38	A	493	471	2.36
39	A	337	322	0.04
40	A	284	271	0.14
41	A	239	228	0.03
42	A	123	117	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.291	2.210	0.089
C2	0.103	1.199	0.084
H3	2.166	1.572	-0.383
C4	1.370	0.870	-0.160
H5	2.117	-0.832	0.917
H6	2.214	-1.030	-0.824
C7	1.595	-0.611	-0.024
H8	0.043	-2.060	0.590
H9	-0.111	-1.440	-1.053
C10	0.162	-1.167	-0.028
H11	-0.884	-0.037	1.511
C12	-0.744	-0.002	0.419
H13	-2.728	0.837	0.098
H14	-2.669	-0.926	0.016
H15	-2.033	0.042	-1.321
C16	-2.122	-0.012	-0.232

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0855	2.5823	2.1490	3.9671	4.1960	3.3955	4.3124	3.8293	3.4096	2.7247	2.2827	2.7973	3.9365	3.1183	2.8974
C2	1.0855		2.1482	1.3317	2.9788	3.2011	2.3481	3.2983	2.8815	2.3692	2.1299	1.5076	2.8537	3.4932	2.8061	2.5528
H3	2.5823	2.1482		1.0849	2.7332	2.6394	2.2845	4.3182	3.8351	3.4124	3.9342	3.4049	4.9722	5.4570	4.5666	4.5740
C4	2.1490	1.3317	1.0849		2.1479	2.1820	1.5037	3.3025	2.8856	2.3716	2.9484	2.3593	4.1059	4.4237	3.6896	3.6024
H5	3.9671	2.9788	2.7332	2.1479		1.7545	1.0983	2.4330	3.0357	2.1971	3.1603	3.0204	5.1890	4.8712	4.7954	4.4680
H6	4.1960	3.2011	2.6394	2.1820	1.7545		1.0944	2.7878	2.3719	2.2048	4.0034	3.3691	5.3621	4.9557	4.4085	4.4931
C7	3.3955	2.3481	2.2845	1.5037	1.0983	1.0944		2.2108	2.1584	1.5374	2.9713	2.4577	4.5605	4.2763	3.9083	3.7712
H8	4.3124	3.2983	4.3182	3.3025	2.4330	2.7878	2.2108		1.7620	1.0922	2.4076	2.2095	4.0381	2.9948	3.5182	3.0912
H9	3.8293	2.8815	3.8351	2.8856	3.0357	2.3719	2.1584	1.7620		1.0954	3.0225	2.1530	3.6546	2.8197	2.4422	2.5998
C10	3.4096	2.3692	3.4124	2.3716	2.1971	2.2048	1.5374	1.0922	1.0954		2.1762	1.5419	3.5187	2.8418	2.8201	2.5678
H11	2.7247	2.1299	3.9342	2.9484	3.1603	4.0034	2.9713	2.4076	3.0225	2.1762		1.1007	2.4817	2.4921	3.0567	2.1378
C12	2.2827	1.5076	3.4049	2.3593	3.0204	3.3691	2.4577	2.2095	2.1530	1.5419	1.1007		2.1773	2.1726	2.1658	1.5240
H13	2.7973	2.8537	4.9722	4.1059	5.1890	5.3621	4.5605	4.0381	3.6546	3.5187	2.4817	2.1773		1.7652	1.7683	1.0934
H14	3.9365	3.4932	5.4570	4.4237	4.8712	4.9557	4.2763	2.9948	2.8197	2.8418	2.4921	2.1726	1.7652		1.7686	1.0935
H15	3.1183	2.8061	4.5666	3.6896	4.7954	4.4085	3.9083	3.5182	2.4422	2.8201	3.0567	2.1658	1.7683	1.7686		1.0938
C16	2.8974	2.5528	4.5740	3.6024	4.4680	4.4931	3.7712	3.0912	2.5998	2.5678	2.1378	1.5240	1.0934	1.0935	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.195	H1	C2	C12	122.515
C2	C4	H3	125.176	C2	C4	C7	111.672
C2	C12	C10	101.945	C2	C12	H11	108.475
C2	C12	C16	114.713	H3	C4	C7	123.088
C4	C2	C12	112.243	C4	C7	H5	110.298
C4	C7	H6	113.307	C4	C7	C10	102.488
H5	C7	H6	106.285	H5	C7	C10	111.858
H6	C7	C10	112.726	C7	C10	H8	113.349
C7	C10	H9	108.981	C7	C10	C12	105.902
H8	C10	H9	107.314	H8	C10	C12	112.909
H9	C10	C12	108.250	C10	C12	H11	109.746
C10	C12	C16	113.762	H11	C12	C16	107.989
C12	C16	H13	111.524	C12	C16	H14	111.140
C12	C16	H15	110.572	H13	C16	H14	107.646
H13	C16	H15	107.887	H14	C16	H15	107.918

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

using model chemistry: B1B95/6-31G**

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	H	0.099
2	C	-0.068
3	H	0.101
4	C	-0.104
5	H	0.125
6	H	0.119
7	C	-0.257
8	H	0.112
9	H	0.121
10	C	-0.234
11	H	0.121
12	C	-0.139
13	H	0.116
14	H	0.118
15	H	0.120
16	C	-0.355

	x	y	z	Total
	-0.006	-0.134	0.116	0.177
CHELPG
AIM
ESP

	x	y	z
x	10.924	-0.356	-0.479
y	-0.356	8.892	-0.110
z	-0.479	-0.110	6.909

<r²>	163.476
(<r²>)^1/2	12.786

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

using model chemistry: B1B95/6-31G**

States and conformations

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