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	hartrees
Energy at 0K	-234.313726
Energy at 298.15K	-234.324453
Nuclear repulsion energy	232.111850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3123	3078	21.79
2	A	3062	3018	21.46
3	A	3051	3007	38.43
4	A	3010	2967	24.23
5	A	3007	2964	56.10
6	A	2994	2951	32.91
7	A	2986	2944	10.38
8	A	2961	2919	42.40
9	A	2941	2899	54.97
10	A	2940	2898	36.86
11	A	1686	1662	2.04
12	A	1485	1464	0.74
13	A	1471	1450	6.32
14	A	1466	1445	0.67
15	A	1461	1440	0.37
16	A	1460	1439	8.63
17	A	1390	1370	1.12
18	A	1334	1315	1.18
19	A	1300	1282	0.52
20	A	1295	1276	2.41
21	A	1253	1235	1.76
22	A	1224	1207	1.88
23	A	1203	1186	1.09
24	A	1152	1135	0.79
25	A	1127	1110	1.28
26	A	1066	1050	0.15
27	A	1028	1013	2.31
28	A	1007	993	6.64
29	A	997	983	5.58
30	A	929	915	1.23
31	A	905	892	0.54
32	A	885	872	0.30
33	A	860	848	0.39
34	A	814	802	2.41
35	A	782	771	9.85
36	A	637	628	2.01
37	A	565	557	0.21
38	A	428	422	2.90
39	A	309	305	0.57
40	A	236	232	2.01
41	A	179	176	0.76
42	A	134	132	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.073	-0.002
H2	-0.334	2.194	-0.072
C3	0.033	1.163	-0.025
H4	-2.672	-0.446	0.866
H5	-2.625	-0.561	-0.899
H6	-2.694	1.045	-0.118
C7	-2.259	0.035	-0.041
H8	-0.027	-1.603	1.159
H9	-0.262	-1.998	-0.549
C10	0.070	-1.192	0.133
H11	1.744	-0.900	-1.230
H12	2.276	-1.245	0.429
C13	1.514	-0.715	-0.166
H14	1.883	1.068	1.102
H15	2.137	1.371	-0.623
C16	1.499	0.817	0.091

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1656	1.3489	2.1623	2.1630	2.1667	1.4989	2.1674	2.1989	1.5197	2.9551	3.3389	2.4137	3.0337	3.2359	2.3819
H2	2.1656		1.0960	3.6504	3.6780	2.6260	2.8938	4.0043	4.2198	3.4167	3.9030	4.3462	3.4477	2.7501	2.6618	2.2988
C3	1.3489	1.0960		3.2713	3.2863	2.7312	2.5548	3.0093	3.2172	2.3603	2.9389	3.3217	2.3957	2.1683	2.1974	1.5112
H4	2.1623	3.6504	3.2713		1.7703	1.7871	1.1072	2.9022	3.1968	2.9353	4.9100	5.0316	4.3205	4.8064	5.3525	4.4272
H5	2.1630	3.6780	3.2863	1.7703		1.7880	1.1069	3.4745	2.7867	2.9537	4.3943	5.1234	4.2061	5.1942	5.1459	4.4595
H6	2.1667	2.6260	2.7312	1.7871	1.7880		1.1026	3.9699	3.9191	3.5650	4.9719	5.4997	4.5619	4.7373	4.8684	4.2050
C7	1.4989	2.8938	2.5548	1.1072	1.1069	1.1026		3.0181	2.8944	2.6386	4.2797	4.7360	3.8494	4.4199	4.6315	3.8415
H8	2.1674	4.0043	3.0093	2.9022	3.4745	3.9699	3.0181		1.7695	1.1103	3.0566	2.4427	2.2187	3.2842	4.0871	3.0542
H9	2.1989	4.2198	3.2172	3.1968	2.7867	3.9191	2.8944	1.7695		1.1067	2.3863	2.8228	2.2246	4.0898	4.1361	3.3815
C10	1.5197	3.4167	2.3603	2.9353	2.9537	3.5650	2.6386	1.1103	1.1067		2.1784	2.2265	1.5501	3.0550	3.3779	2.4657
H11	2.9551	3.9030	2.9389	4.9100	4.3943	4.9719	4.2797	3.0566	2.3863	2.1784		1.7763	1.1041	3.0544	2.3830	2.1800
H12	3.3389	4.3462	3.3217	5.0316	5.1234	5.4997	4.7360	2.4427	2.8228	2.2265	1.7763		1.1026	2.4400	2.8224	2.2287
C13	2.4137	3.4477	2.3957	4.3205	4.2061	4.5619	3.8494	2.2187	2.2246	1.5501	1.1041	1.1026		2.2184	2.2238	1.5530
H14	3.0337	2.7501	2.1683	4.8064	5.1942	4.7373	4.4199	3.2842	4.0898	3.0550	3.0544	2.4400	2.2184		1.7696	1.1101
H15	3.2359	2.6618	2.1974	5.3525	5.1459	4.8684	4.6315	4.0871	4.1361	3.3779	2.3830	2.8224	2.2238	1.7696		1.1059
C16	2.3819	2.2988	1.5112	4.4272	4.4595	4.2050	3.8415	3.0542	3.3815	2.4657	2.1800	2.2287	1.5530	1.1101	1.1059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.373	C1	C3	C16	112.655
C1	C7	H4	111.246	C1	C7	H5	111.318
C1	C7	H6	111.884	C1	C10	H8	110.022
C1	C10	H9	112.756	C1	C10	C13	103.675
H2	C3	C16	122.911	C3	C1	C7	127.480
C3	C1	C10	110.595	C3	C16	C13	102.852
C3	C16	H14	110.696	C3	C16	H15	113.295
H4	C7	H5	106.170	H4	C7	H6	107.940
H5	C7	H6	108.034	C7	C1	C10	121.879
H8	C10	H9	105.907	H8	C10	C13	111.960
H9	C10	C13	112.651	C10	C13	H11	109.160
C10	C13	H12	113.053	C10	C13	C16	105.235
H11	C13	H12	107.207	H11	C13	C16	109.090
H12	C13	C16	113.024	C13	C16	H14	111.742
C13	C16	H15	112.423	H14	C16	H15	105.984

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

using model chemistry: PBEPBE/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	C	0.184
2	H	0.121
3	C	-0.156
4	H	0.167
5	H	0.166
6	H	0.167
7	C	-0.565
8	H	0.154
9	H	0.149
10	C	-0.354
11	H	0.158
12	H	0.147
13	C	-0.309
14	H	0.155
15	H	0.151
16	C	-0.335

	x	y	z	Total
	-0.152	-0.189	0.056	0.249
CHELPG
AIM
ESP

	x	y	z
x	10.958	0.871	0.097
y	0.871	9.886	-0.112
z	0.097	-0.112	6.906

<r²>	171.592
(<r²>)^1/2	13.099

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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