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	hartrees
Energy at 0K	-234.587109
Energy at 298.15K	-234.598225
Nuclear repulsion energy	235.125825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3243	3075	27.08
2	A	3216	3050	9.06
3	A	3147	2984	50.54
4	A	3145	2982	23.03
5	A	3140	2978	25.68
6	A	3104	2943	38.19
7	A	3078	2919	25.51
8	A	3067	2908	28.03
9	A	3049	2892	43.82
10	A	3017	2861	32.29
11	A	1721	1632	0.95
12	A	1535	1456	3.38
13	A	1531	1452	4.36
14	A	1531	1451	3.24
15	A	1513	1435	1.15
16	A	1440	1365	2.72
17	A	1416	1343	5.06
18	A	1365	1294	0.74
19	A	1354	1284	0.52
20	A	1337	1268	3.60
21	A	1317	1249	1.28
22	A	1251	1186	0.73
23	A	1224	1160	0.27
24	A	1163	1103	0.63
25	A	1137	1078	4.22
26	A	1124	1066	4.05
27	A	1089	1033	2.42
28	A	1023	970	2.10
29	A	988	937	0.62
30	A	977	926	1.67
31	A	967	917	0.60
32	A	931	883	2.99
33	A	871	826	1.90
34	A	840	797	1.38
35	A	765	725	2.46
36	A	748	710	29.66
37	A	589	558	4.74
38	A	500	474	2.64
39	A	344	326	0.04
40	A	287	272	0.15
41	A	243	230	0.04
42	A	120	114	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.294	2.213	0.102
C2	0.101	1.201	0.091
H3	2.164	1.578	-0.384
C4	1.368	0.874	-0.160
H5	2.139	-0.835	0.895
H6	2.202	-1.022	-0.850
C7	1.598	-0.609	-0.035
H8	0.056	-2.054	0.623
H9	-0.117	-1.471	-1.032
C10	0.164	-1.172	-0.016
H11	-0.898	-0.037	1.513
C12	-0.747	-0.003	0.422
H13	-2.730	0.838	0.087
H14	-2.671	-0.927	0.003
H15	-2.026	0.044	-1.330
C16	-2.122	-0.012	-0.241

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0863	2.5850	2.1507	3.9799	4.1959	3.4002	4.3123	3.8585	3.4180	2.7234	2.2842	2.7970	3.9394	3.1232	2.8994
C2	1.0863		2.1501	1.3326	2.9908	3.2007	2.3521	3.2982	2.9070	2.3767	2.1335	1.5098	2.8543	3.4963	2.8081	2.5541
H3	2.5850	2.1501		1.0856	2.7315	2.6420	2.2857	4.3180	3.8628	3.4207	3.9473	3.4096	4.9719	5.4593	4.5611	4.5734
C4	2.1507	1.3326	1.0856		2.1516	2.1835	1.5058	3.3025	2.9099	2.3791	2.9605	2.3632	4.1059	4.4260	3.6852	3.6018
H5	3.9799	2.9908	2.7315	2.1516		1.7564	1.0994	2.4282	3.0350	2.2010	3.1998	3.0408	5.2111	4.8930	4.8034	4.4857
H6	4.1959	3.2007	2.6420	2.1835	1.7564		1.0958	2.7997	2.3699	2.2078	4.0204	3.3701	5.3539	4.9486	4.3872	4.4822
C7	3.4002	2.3521	2.2857	1.5058	1.0994	1.0958		2.2129	2.1638	1.5412	2.9917	2.4651	4.5649	4.2813	3.9037	3.7731
H8	4.3123	3.2982	4.3180	3.3025	2.4282	2.7997	2.2129		1.7632	1.0935	2.4017	2.2116	4.0508	3.0153	3.5427	3.1078
H9	3.8585	2.9070	3.8628	2.9099	3.0350	2.3699	2.1638	1.7632		1.0963	3.0235	2.1601	3.6615	2.8087	2.4549	2.6023
C10	3.4180	2.3767	3.4207	2.3791	2.2010	2.2078	1.5412	1.0935	1.0963		2.1798	1.5456	3.5247	2.8456	2.8290	2.5731
H11	2.7234	2.1335	3.9473	2.9605	3.1998	4.0204	2.9917	2.4017	3.0235	2.1798		1.1017	2.4809	2.4933	3.0600	2.1388
C12	2.2842	1.5098	3.4096	2.3632	3.0408	3.3701	2.4651	2.2116	2.1601	1.5456	1.1017		2.1793	2.1750	2.1698	1.5259
H13	2.7970	2.8543	4.9719	4.1059	5.2111	5.3539	4.5649	4.0508	3.6615	3.5247	2.4809	2.1793		1.7677	1.7704	1.0950
H14	3.9394	3.4963	5.4593	4.4260	4.8930	4.9486	4.2813	3.0153	2.8087	2.8456	2.4933	2.1750	1.7677		1.7713	1.0950
H15	3.1232	2.8081	4.5611	3.6852	4.8034	4.3872	3.9037	3.5427	2.4549	2.8290	3.0600	2.1698	1.7704	1.7713		1.0952
C16	2.8994	2.5541	4.5734	3.6018	4.4857	4.4822	3.7731	3.1078	2.6023	2.5731	2.1388	1.5259	1.0950	1.0950	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.216	H1	C2	C12	122.409
C2	C4	H3	125.212	C2	C4	C7	111.777
C2	C12	C10	102.126	C2	C12	H11	108.559
C2	C12	C16	114.567	H3	C4	C7	122.953
C4	C2	C12	112.336	C4	C7	H5	110.385
C4	C7	H6	113.190	C4	C7	C10	102.661
H5	C7	H6	106.282	H5	C7	C10	111.841
H6	C7	C10	112.607	C7	C10	H8	113.169
C7	C10	H9	109.084	C7	C10	C12	105.990
H8	C10	H9	107.254	H8	C10	C12	112.735
H9	C10	C12	108.501	C10	C12	H11	109.714
C10	C12	C16	113.803	H11	C12	C16	107.877
C12	C16	H13	111.446	C12	C16	H14	111.104
C12	C16	H15	110.676	H13	C16	H14	107.645
H13	C16	H15	107.866	H14	C16	H15	107.951

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

using model chemistry: mPW1PW91/6-31G*

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	0.156
2	C	-0.127
3	H	0.159
4	C	-0.152
5	H	0.174
6	H	0.170
7	C	-0.365
8	H	0.165
9	H	0.170
10	C	-0.341
11	H	0.168
12	C	-0.166
13	H	0.168
14	H	0.170
15	H	0.171
16	C	-0.521

	x	y	z	Total
	0.002	-0.129	0.116	0.173
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	163.871
(<r²>)^1/2	12.801

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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