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	hartrees
Energy at 0K	-234.516588
Energy at 298.15K	-234.527301
Nuclear repulsion energy	231.377568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3082	22.73
2	A	3027	3010	24.42
3	A	3020	3003	43.49
4	A	2981	2965	60.33
5	A	2973	2956	24.89
6	A	2961	2944	38.99
7	A	2955	2938	14.66
8	A	2936	2920	44.06
9	A	2916	2900	56.20
10	A	2915	2899	38.75
11	A	1658	1649	1.94
12	A	1467	1459	0.13
13	A	1454	1446	3.41
14	A	1449	1441	1.13
15	A	1446	1438	0.02
16	A	1443	1435	5.45
17	A	1375	1368	0.22
18	A	1319	1312	0.38
19	A	1284	1277	0.46
20	A	1277	1270	3.46
21	A	1251	1244	0.47
22	A	1207	1200	2.83
23	A	1195	1188	0.85
24	A	1135	1129	1.50
25	A	1119	1113	0.92
26	A	1063	1057	0.48
27	A	1005	1000	5.20
28	A	1002	997	3.46
29	A	994	988	2.49
30	A	909	904	1.12
31	A	886	882	0.19
32	A	872	867	0.89
33	A	845	841	0.29
34	A	812	808	4.68
35	A	777	773	4.68
36	A	642	639	1.34
37	A	563	560	0.14
38	A	433	430	1.96
39	A	309	307	0.53
40	A	234	233	1.33
41	A	180	179	0.52
42	A	119	118	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.764	0.075	-0.001
H2	-0.340	2.193	-0.066
C3	0.026	1.164	-0.022
H4	-2.678	-0.453	0.866
H5	-2.634	-0.557	-0.897
H6	-2.703	1.042	-0.107
C7	-2.268	0.034	-0.038
H8	-0.048	-1.639	1.129
H9	-0.255	-1.985	-0.588
C10	0.068	-1.200	0.118
H11	1.800	-0.930	-1.194
H12	2.268	-1.231	0.486
C13	1.529	-0.719	-0.147
H14	1.902	1.104	1.076
H15	2.122	1.371	-0.654
C16	1.503	0.828	0.081

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1605	1.3456	2.1667	2.1673	2.1699	1.5048	2.1744	2.2015	1.5269	3.0006	3.3372	2.4309	3.0541	3.2303	2.3900
H2	2.1605		1.0923	3.6513	3.6755	2.6288	2.8941	4.0242	4.2110	3.4222	3.9499	4.3395	3.4613	2.7418	2.6619	2.2981
C3	1.3456	1.0923		3.2732	3.2865	2.7333	2.5569	3.0312	3.2122	2.3691	2.9845	3.3205	2.4133	2.1748	2.1996	1.5185
H4	2.1667	3.6513	3.2732		1.7664	1.7838	1.1053	2.8972	3.2142	2.9418	4.9516	5.0213	4.3353	4.8421	5.3552	4.4426
H5	2.1673	3.6755	3.2865	1.7664		1.7846	1.1051	3.4587	2.7916	2.9566	4.4589	5.1377	4.2327	5.2177	5.1375	4.4704
H6	2.1699	2.6288	2.7333	1.7838	1.7846		1.1005	3.9709	3.9229	3.5716	5.0347	5.4988	4.5845	4.7556	4.8679	4.2161
C7	1.5048	2.8941	2.5569	1.1053	1.1051	1.1005		3.0145	2.9033	2.6457	4.3368	4.7379	3.8721	4.4466	4.6302	3.8551
H8	2.1744	4.0242	3.0312	2.8972	3.4587	3.9709	3.0145		1.7638	1.1076	3.0514	2.4378	2.2271	3.3659	4.1165	3.0966
H9	2.2015	4.2110	3.2122	3.2142	2.7916	3.9229	2.9033	1.7638		1.1042	2.3878	2.8441	2.2313	4.1189	4.1131	3.3839
C10	1.5269	3.4222	2.3691	2.9418	2.9566	3.5716	2.6457	1.1076	1.1042		2.1899	2.2314	1.5613	3.0972	3.3806	2.4850
H11	3.0006	3.9499	2.9845	4.9516	4.4589	5.0347	4.3368	3.0514	2.3878	2.1899		1.7700	1.1014	3.0496	2.3852	2.1916
H12	3.3372	4.3395	3.3205	5.0213	5.1377	5.4988	4.7379	2.4378	2.8441	2.2314	1.7700		1.0998	2.4363	2.8445	2.2339
C13	2.4309	3.4613	2.4133	4.3353	4.2327	4.5845	3.8721	2.2271	2.2313	1.5613	1.1014	1.0998		2.2273	2.2310	1.5643
H14	3.0541	2.7418	2.1748	4.8421	5.2177	4.7556	4.4466	3.3659	4.1189	3.0972	3.0496	2.4363	2.2273		1.7641	1.1073
H15	3.2303	2.6619	2.1996	5.3552	5.1375	4.8679	4.6302	4.1165	4.1131	3.3806	2.3852	2.8445	2.2310	1.7641		1.1036
C16	2.3900	2.2981	1.5185	4.4426	4.4704	4.2161	3.8551	3.0966	3.3839	2.4850	2.1916	2.2339	1.5643	1.1073	1.1036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.479	C1	C3	C16	112.980
C1	C7	H4	111.301	C1	C7	H5	111.371
C1	C7	H6	111.860	C1	C10	H8	110.229
C1	C10	H9	112.601	C1	C10	C13	103.835
H2	C3	C16	122.498	C3	C1	C7	127.455
C3	C1	C10	110.968	C3	C16	C13	103.034
C3	C16	H14	110.860	C3	C16	H15	113.089
H4	C7	H5	106.093	H4	C7	H6	107.938
H5	C7	H6	108.022	C7	C1	C10	121.544
H8	C10	H9	105.774	H8	C10	C13	111.999
H9	C10	C13	112.545	C10	C13	H11	109.444
C10	C13	H12	112.821	C10	C13	C16	105.323
H11	C13	H12	107.046	H11	C13	C16	109.369
H12	C13	C16	112.805	C13	C16	H14	111.817
C13	C16	H15	112.346	H14	C16	H15	105.857

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

using model chemistry: BLYP/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	C	0.394
2	H	0.055
3	C	-0.133
4	H	0.107
5	H	0.107
6	H	0.105
7	C	-0.469
8	H	0.082
9	H	0.078
10	C	-0.268
11	H	0.086
12	H	0.076
13	C	-0.169
14	H	0.084
15	H	0.081
16	C	-0.216

	x	y	z	Total
	-0.149	-0.171	0.038	0.230
CHELPG
AIM
ESP

	x	y	z
x	11.343	0.822	0.074
y	0.822	10.146	-0.091
z	0.074	-0.091	7.187

<r²>	172.988
(<r²>)^1/2	13.152

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

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

States and conformations

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