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	hartrees
Energy at 0K	-234.324922
Energy at 298.15K	-234.335666
Nuclear repulsion energy	232.015003

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3115	3097	18.36
2	A	3059	3041	18.42
3	A	3040	3023	35.45
4	A	3004	2987	17.79
5	A	2997	2979	54.53
6	A	2986	2969	35.10
7	A	2976	2959	7.42
8	A	2949	2932	42.64
9	A	2927	2910	55.62
10	A	2926	2909	36.02
11	A	1677	1667	2.89
12	A	1425	1417	1.55
13	A	1409	1401	7.14
14	A	1404	1396	0.69
15	A	1399	1391	0.27
16	A	1397	1389	8.65
17	A	1347	1339	1.62
18	A	1310	1302	1.22
19	A	1277	1269	0.57
20	A	1269	1262	1.95
21	A	1221	1214	1.60
22	A	1208	1201	1.61
23	A	1178	1172	1.26
24	A	1137	1130	0.35
25	A	1101	1094	1.51
26	A	1039	1033	0.29
27	A	1020	1014	2.68
28	A	987	981	7.96
29	A	973	967	5.65
30	A	921	916	1.00
31	A	903	898	0.69
32	A	874	869	0.15
33	A	853	848	0.55
34	A	805	801	1.81
35	A	775	771	8.96
36	A	630	626	1.74
37	A	563	560	0.25
38	A	427	424	3.25
39	A	312	310	0.60
40	A	237	236	1.95
41	A	178	177	0.90
42	A	144	143	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.762	0.074	-0.003
H2	-0.332	2.201	-0.077
C3	0.036	1.165	-0.027
H4	-2.671	-0.450	0.869
H5	-2.623	-0.567	-0.903
H6	-2.697	1.049	-0.121
C7	-2.258	0.035	-0.043
H8	-0.023	-1.588	1.177
H9	-0.271	-2.007	-0.533
C10	0.070	-1.189	0.139
H11	1.723	-0.891	-1.249
H12	2.284	-1.256	0.405
C13	1.510	-0.715	-0.174
H14	1.876	1.054	1.118
H15	2.150	1.374	-0.609
C16	1.500	0.811	0.095

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1718	1.3518	2.1632	2.1647	2.1707	1.4971	2.1673	2.2026	1.5190	2.9421	3.3479	2.4104	3.0288	3.2455	2.3810
H2	2.1718		1.1010	3.6598	3.6876	2.6319	2.8984	4.0027	4.2336	3.4212	3.8931	4.3619	3.4506	2.7598	2.6694	2.3060
C3	1.3518	1.1010		3.2766	3.2924	2.7376	2.5568	3.0045	3.2268	2.3602	2.9265	3.3314	2.3932	2.1695	2.2023	1.5110
H4	2.1632	3.6598	3.2766		1.7764	1.7962	1.1124	2.8979	3.1857	2.9314	4.8975	5.0410	4.3167	4.7954	5.3616	4.4256
H5	2.1647	3.6876	3.2924	1.7764		1.7969	1.1121	3.4822	2.7827	2.9540	4.3718	5.1246	4.1991	5.1917	5.1611	4.4609
H6	2.1707	2.6319	2.7376	1.7962	1.7969		1.1073	3.9730	3.9238	3.5688	4.9572	5.5136	4.5622	4.7381	4.8826	4.2099
C7	1.4971	2.8984	2.5568	1.1124	1.1121	1.1073		3.0189	2.8913	2.6367	4.2612	4.7426	3.8436	4.4126	4.6409	3.8396
H8	2.1673	4.0027	3.0045	2.8979	3.4822	3.9730	3.0189		1.7775	1.1160	3.0695	2.4552	2.2218	3.2540	4.0842	3.0406
H9	2.2026	4.2336	3.2268	3.1857	2.7827	3.9238	2.8913	1.7775		1.1116	2.3951	2.8230	2.2289	4.0871	4.1591	3.3876
C10	1.5190	3.4212	2.3602	2.9314	2.9540	3.5688	2.6367	1.1160	1.1116		2.1787	2.2304	1.5474	3.0418	3.3843	2.4596
H11	2.9421	3.8931	2.9265	4.8975	4.3718	4.9572	4.2612	3.0695	2.3951	2.1787		1.7847	1.1099	3.0673	2.3917	2.1805
H12	3.3479	4.3619	3.3314	5.0410	5.1246	5.5136	4.7426	2.4552	2.8230	2.2304	1.7847		1.1078	2.4518	2.8217	2.2325
C13	2.4104	3.4506	2.3932	4.3167	4.1991	4.5622	3.8436	2.2218	2.2289	1.5474	1.1099	1.1078		2.2213	2.2278	1.5503
H14	3.0288	2.7598	2.1695	4.7954	5.1917	4.7381	4.4126	3.2540	4.0871	3.0418	3.0673	2.4518	2.2213		1.7769	1.1159
H15	3.2455	2.6694	2.2023	5.3616	5.1611	4.8826	4.6409	4.0842	4.1591	3.3843	2.3917	2.8217	2.2278	1.7769		1.1109
C16	2.3810	2.3060	1.5110	4.4256	4.4609	4.2099	3.8396	3.0406	3.3876	2.4596	2.1805	2.2325	1.5503	1.1159	1.1109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.295	C1	C3	C16	112.432
C1	C7	H4	111.133	C1	C7	H5	111.272
C1	C7	H6	112.046	C1	C10	H8	109.724
C1	C10	H9	112.794	C1	C10	C13	103.635
H2	C3	C16	123.204	C3	C1	C7	127.582
C3	C1	C10	110.464	C3	C16	C13	102.836
C3	C16	H14	110.448	C3	C16	H15	113.393
H4	C7	H5	105.984	H4	C7	H6	108.032
H5	C7	H6	108.113	C7	C1	C10	121.900
H8	C10	H9	105.874	H8	C10	C13	112.050
H9	C10	C13	112.884	C10	C13	H11	109.040
C10	C13	H12	113.242	C10	C13	C16	105.122
H11	C13	H12	107.167	H11	C13	C16	108.977
H12	C13	C16	113.201	C13	C16	H14	111.812
C13	C16	H15	112.630	H14	C16	H15	105.872

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.140
2	H	-0.040
3	C	-0.044
4	H	0.041
5	H	0.042
6	H	0.029
7	C	0.006
8	H	0.031
9	H	0.018
10	C	0.003
11	H	0.030
12	H	0.011
13	C	-0.040
14	H	0.033
15	H	0.023
16	C	-0.000

	x	y	z	Total
	-0.186	-0.206	0.060	0.284
CHELPG
AIM
ESP

	x	y	z
x	11.733	0.858	0.091
y	0.858	10.509	-0.113
z	0.091	-0.113	7.363

<r²>	171.889
(<r²>)^1/2	13.111

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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