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	hartrees
Energy at 0K	-232.261996
Energy at 298.15K	-232.273148
HF Energy	-231.720324
Nuclear repulsion energy	232.556092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3093	19.02
2	A	3209	3063	5.67
3	A	3162	3018	42.89
4	A	3152	3009	14.49
5	A	3144	3001	23.88
6	A	3132	2990	17.92
7	A	3099	2958	17.07
8	A	3085	2945	27.09
9	A	3073	2933	20.85
10	A	3070	2930	17.69
11	A	1642	1568	0.10
12	A	1602	1529	5.57
13	A	1598	1525	2.73
14	A	1590	1518	1.77
15	A	1574	1503	1.35
16	A	1486	1419	3.33
17	A	1416	1352	4.23
18	A	1393	1330	1.12
19	A	1377	1315	0.33
20	A	1361	1299	3.39
21	A	1355	1294	0.61
22	A	1271	1214	1.04
23	A	1244	1187	0.43
24	A	1188	1134	0.13
25	A	1160	1107	2.87
26	A	1146	1094	6.07
27	A	1077	1028	0.64
28	A	1027	980	0.75
29	A	984	939	1.42
30	A	965	921	0.79
31	A	941	898	0.63
32	A	893	852	2.06
33	A	862	823	0.70
34	A	830	793	2.67
35	A	775	740	0.38
36	A	754	719	37.56
37	A	607	579	7.19
38	A	503	480	2.78
39	A	350	334	0.08
40	A	285	272	0.14
41	A	250	238	0.07
42	A	98	93	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.306	2.226	0.145
C2	0.096	1.218	0.117
H3	2.160	1.600	-0.408
C4	1.370	0.896	-0.168
H5	2.186	-0.845	0.854
H6	2.177	-1.011	-0.915
C7	1.621	-0.615	-0.059
H8	0.085	-2.055	0.688
H9	-0.142	-1.515	-0.994
C10	0.163	-1.199	0.011
H11	-0.934	-0.049	1.540
C12	-0.764	-0.006	0.454
H13	-2.740	0.844	0.031
H14	-2.680	-0.932	-0.055
H15	-1.961	0.047	-1.358
C16	-2.127	-0.012	-0.276

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0857	2.6035	2.1634	4.0184	4.2156	3.4391	4.3334	3.9141	3.4602	2.7413	2.3000	2.8015	3.9563	3.1219	2.9159
C2	1.0857		2.1635	1.3454	3.0279	3.2198	2.3909	3.3228	2.9599	2.4208	2.1652	1.5336	2.8621	3.5158	2.7890	2.5711
H3	2.6035	2.1635		1.0848	2.7520	2.6598	2.3060	4.3437	3.9169	3.4639	4.0100	3.4453	4.9773	5.4737	4.5049	4.5819
C4	2.1634	1.3454	1.0848		2.1772	2.2007	1.5348	3.3307	2.9628	2.4245	3.0195	2.3990	4.1159	4.4454	3.6377	3.6152
H5	4.0184	3.0279	2.7520	2.1772		1.7767	1.0977	2.4303	3.0464	2.2199	3.2916	3.0922	5.2721	4.9508	4.7835	4.5360
H6	4.2156	3.2198	2.6598	2.2007	1.7767		1.0954	2.8354	2.3746	2.2250	4.0779	3.3961	5.3403	4.9338	4.2943	4.4652
C7	3.4391	2.3909	2.3060	1.5348	1.0977	1.0954		2.2344	2.1892	1.5724	3.0661	2.5138	4.5996	4.3129	3.8672	3.8029
H8	4.3334	3.3228	4.3437	3.3307	2.4303	2.8354	2.2344		1.7810	1.0942	2.4059	2.2297	4.1006	3.0751	3.5758	3.1620
H9	3.9141	2.9599	3.9169	2.9628	3.0464	2.3746	2.1892	1.7810		1.0964	3.0326	2.1817	3.6560	2.7686	2.4249	2.5918
C10	3.4602	2.4208	3.4639	2.4245	2.2199	2.2250	1.5724	1.0942	1.0964		2.2054	1.5742	3.5501	2.8564	2.8171	2.5959
H11	2.7413	2.1652	4.0100	3.0195	3.2916	4.0779	3.0661	2.4059	3.0326	2.2054		1.0994	2.5172	2.5246	3.0756	2.1735
C12	2.3000	1.5336	3.4453	2.3990	3.0922	3.3961	2.5138	2.2297	2.1817	1.5742	1.0994		2.1930	2.1886	2.1726	1.5472
H13	2.8015	2.8621	4.9773	4.1159	5.2721	5.3403	4.5996	4.1006	3.6560	3.5501	2.5172	2.1930		1.7792	1.7809	1.0963
H14	3.9563	3.5158	5.4737	4.4454	4.9508	4.9338	4.3129	3.0751	2.7686	2.8564	2.5246	2.1886	1.7792		1.7815	1.0964
H15	3.1219	2.7890	4.5049	3.6377	4.7835	4.2943	3.8672	3.5758	2.4249	2.8171	3.0756	2.1726	1.7809	1.7815		1.0958
C16	2.9159	2.5711	4.5819	3.6152	4.5360	4.4652	3.8029	3.1620	2.5918	2.5959	2.1735	1.5472	1.0963	1.0964	1.0958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.379	H1	C2	C12	121.889
C2	C4	H3	125.473	C2	C4	C7	112.053
C2	C12	C10	102.317	C2	C12	H11	109.530
C2	C12	C16	113.139	H3	C4	C7	122.423
C4	C2	C12	112.708	C4	C7	H5	110.497
C4	C7	H6	112.512	C4	C7	C10	102.567
H5	C7	H6	108.219	H5	C7	C10	111.241
H6	C7	C10	111.781	C7	C10	H8	112.614
C7	C10	H9	108.920	C7	C10	C12	106.051
H8	C10	H9	108.791	H8	C10	C12	112.101
H9	C10	C12	108.226	C10	C12	H11	109.880
C10	C12	C16	112.531	H11	C12	C16	109.252
C12	C16	H13	110.958	C12	C16	H14	110.601
C12	C16	H15	109.386	H13	C16	H14	108.465
H13	C16	H15	108.668	H14	C16	H15	108.709

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.181	0.167
2	C	-0.141	-0.367
3	H	0.183	0.123
4	C	-0.173	-0.131
5	H	0.196	0.053
6	H	0.191	0.056
7	C	-0.411	-0.072
8	H	0.186	0.036
9	H	0.192	0.062
10	C	-0.351	-0.152
11	H	0.197	-0.014
12	C	-0.281	0.371
13	H	0.178	0.120
14	H	0.180	0.100
15	H	0.183	0.134
16	C	-0.510	-0.487

	x	y	z	Total
	-0.014	-0.116	0.067	0.135
CHELPG
AIM
ESP	-0.004	-0.099	0.052	0.112

	x	y	z
x	9.775	-0.301	-0.549
y	-0.301	8.120	-0.113
z	-0.549	-0.113	6.263

<r²>	167.221
(<r²>)^1/2	12.931

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

using model chemistry: MP2/3-21G

States and conformations

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