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	hartrees
Energy at 0K	-231.837006
Energy at 298.15K	-231.847421
Nuclear repulsion energy	229.731356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3477	3103	0.86
2	A	3465	3093	3.03
3	A	3463	3091	6.69
4	A	3442	3071	1.08
5	A	3418	3050	2.96
6	A	3415	3047	1.85
7	A	3356	2995	3.69
8	A	3319	2962	2.50
9	A	3317	2960	7.21
10	A	3295	2940	2.37
11	A	1876	1674	0.60
12	A	1687	1506	0.18
13	A	1678	1498	3.88
14	A	1672	1492	0.09
15	A	1670	1490	4.40
16	A	1666	1486	0.14
17	A	1568	1400	0.79
18	A	1487	1327	0.69
19	A	1459	1302	1.39
20	A	1423	1270	5.07
21	A	1384	1235	2.54
22	A	1368	1220	0.50
23	A	1331	1188	0.11
24	A	1264	1128	2.44
25	A	1253	1118	0.37
26	A	1177	1050	0.69
27	A	1142	1019	0.10
28	A	1114	994	6.49
29	A	1111	991	3.74
30	A	1020	910	0.07
31	A	984	878	0.17
32	A	973	869	0.03
33	A	924	824	0.31
34	A	890	794	2.95
35	A	814	726	5.92
36	A	742	662	1.93
37	A	610	544	0.28
38	A	436	389	1.86
39	A	322	288	0.42
40	A	235	210	1.53
41	A	149	133	0.14
42	A	43	38	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.767	0.076	0.000
H2	-0.359	2.205	-0.027
C3	0.007	1.170	-0.008
H4	-2.678	-0.489	0.884
H5	-2.658	-0.537	-0.894
H6	-2.722	1.037	-0.047
C7	-2.295	0.023	-0.016
H8	-0.106	-1.765	0.993
H9	-0.191	-1.903	-0.778
C10	0.073	-1.218	0.048
H11	1.998	-1.031	-1.023
H12	2.186	-1.148	0.742
C13	1.562	-0.721	-0.060
H14	1.966	1.217	0.970
H15	2.052	1.328	-0.802
C16	1.506	0.850	0.033

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1683	1.3410	2.1795	2.1795	2.1791	1.5291	2.1934	2.2027	1.5433	3.1496	3.2814	2.4621	3.1173	3.1873	2.4024
H2	2.1683		1.0974	3.6694	3.6819	2.6360	2.9169	4.1067	4.1795	3.4508	4.1256	4.2787	3.5000	2.7161	2.6802	2.3062
C3	1.3410	1.0974		3.2799	3.2868	2.7327	2.5723	3.1036	3.1748	2.3900	3.1372	3.2686	2.4488	2.1905	2.1994	1.5339
H4	2.1795	3.6694	3.2799		1.7791	1.7886	1.1037	2.8731	3.3079	2.9659	5.0790	4.9101	4.3494	4.9486	5.3397	4.4752
H5	2.1795	3.6819	3.2868	1.7791		1.7888	1.1036	3.4034	2.8221	2.9683	4.6843	5.1491	4.3054	5.2857	5.0663	4.4864
H6	2.1791	2.6360	2.7327	1.7886	1.7888		1.1003	3.9724	3.9476	3.5928	5.2452	5.4301	4.6305	4.8011	4.8420	4.2336
C7	1.5291	2.9169	2.5723	1.1037	1.1036	1.1003		3.0017	2.9529	2.6748	4.5347	4.6933	3.9285	4.5343	4.6063	3.8911
H8	2.1934	4.1067	3.1036	2.8731	3.4034	3.9724	3.0017		1.7778	1.1061	3.0048	2.3867	2.2313	3.6317	4.1764	3.2191
H9	2.2027	4.1795	3.1748	3.3079	2.8221	3.9476	2.9529	1.7778		1.1052	2.3699	2.9207	2.2332	4.1769	3.9332	3.3349
C10	1.5433	3.4508	2.3900	2.9659	2.9683	3.5928	2.6748	1.1061	1.1052		2.2111	2.2248	1.5732	3.2194	3.3344	2.5165
H11	3.1496	4.1256	3.1372	5.0790	4.6843	5.2452	4.5347	3.0048	2.3699	2.2111		1.7781	1.1020	3.0042	2.3693	2.2125
H12	3.2814	4.2787	3.2686	4.9101	5.1491	5.4301	4.6933	2.3867	2.9207	2.2248	1.7781		1.1018	2.3860	2.9203	2.2263
C13	2.4621	3.5000	2.4488	4.3494	4.3054	4.6305	3.9285	2.2313	2.2332	1.5732	1.1020	1.1018		2.2314	2.2332	1.5748
H14	3.1173	2.7161	2.1905	4.9486	5.2857	4.8011	4.5343	3.6317	4.1769	3.2194	3.0042	2.3860	2.2314		1.7776	1.1065
H15	3.1873	2.6802	2.1994	5.3397	5.0663	4.8420	4.6063	4.1764	3.9332	3.3344	2.3693	2.9203	2.2332	1.7776		1.1055
C16	2.4024	2.3062	1.5339	4.4752	4.4864	4.2336	3.8911	3.2191	3.3349	2.5165	2.2125	2.2263	1.5748	1.1065	1.1055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	125.254	C1	C3	C16	113.195
C1	C7	H4	110.714	C1	C7	H5	110.720
C1	C7	H6	110.887	C1	C10	H8	110.686
C1	C10	H9	111.475	C1	C10	C13	104.373
H2	C3	C16	121.546	C3	C1	C7	127.209
C3	C1	C10	111.726	C3	C16	C13	103.940
C3	C16	H14	111.081	C3	C16	H15	111.847
H4	C7	H5	107.414	H4	C7	H6	108.487
H5	C7	H6	108.508	C7	C1	C10	121.061
H8	C10	H9	107.012	H8	C10	C13	111.588
H9	C10	C13	111.786	C10	C13	H11	110.243
C10	C13	H12	111.330	C10	C13	C16	106.149
H11	C13	H12	107.573	H11	C13	C16	110.241
H12	C13	C16	111.334	C13	C16	H14	111.457
C13	C16	H15	111.654	H14	C16	H15	106.951

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

using model chemistry: B3LYP/STO-3G

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	-0.001
2	H	0.068
3	C	-0.092
4	H	0.079
5	H	0.079
6	H	0.080
7	C	-0.227
8	H	0.070
9	H	0.070
10	C	-0.138
11	H	0.070
12	H	0.069
13	C	-0.132
14	H	0.071
15	H	0.071
16	C	-0.137

	x	y	z	Total
	-0.098	-0.190	0.020	0.215
CHELPG
AIM
ESP

	x	y	z
x	5.961	0.730	0.023
y	0.730	5.597	-0.028
z	0.023	-0.028	3.420

<r²>	173.891
(<r²>)^1/2	13.187

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

using model chemistry: B3LYP/STO-3G

States and conformations

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