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	hartrees
Energy at 0K	-233.922195
Energy at 298.15K
HF Energy	-233.028257
Nuclear repulsion energy	235.300644

Atom	x (Å)	y (Å)	z (Å)
C1	0.246	2.107	0.000
C2	-0.371	0.714	0.000
C3	0.010	-0.150	1.227
C4	0.010	-0.150	-1.227
C5	0.010	-1.554	0.669
C6	0.010	-1.554	-0.669
H7	-0.058	2.671	0.882
H8	-0.058	2.671	-0.882
H9	1.335	2.043	0.000
H10	-1.459	0.814	0.000
H11	1.004	0.115	1.604
H12	1.004	0.115	-1.604
H13	-0.687	-0.015	2.055
H14	-0.687	-0.015	-2.055
H15	0.051	-2.435	1.294
H16	0.051	-2.435	-1.294

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5234	2.5793	2.5793	3.7292	3.7292	1.0901	1.0901	1.0906	2.1399	2.6676	2.6676	3.0978	3.0978	4.7269	4.7269
C2	1.5234		1.5480	1.5480	2.3953	2.3953	2.1696	2.1696	2.1623	1.0926	2.1959	2.1959	2.2033	2.2033	3.4306	3.4306
C3	2.5793	1.5480		2.4539	1.5116	2.3594	2.8430	3.5227	2.8403	2.1429	1.0950	3.0121	1.0911	3.3580	2.2871	3.4029
C4	2.5793	1.5480	2.4539		2.3594	1.5116	3.5227	2.8430	2.8403	2.1429	3.0121	1.0950	3.3580	1.0911	3.4029	2.2871
C5	3.7292	2.3953	1.5116	2.3594		1.3373	4.2317	4.5017	3.8913	2.8660	2.1560	2.9898	2.1859	3.2054	1.0809	2.1513
C6	3.7292	2.3953	2.3594	1.5116	1.3373		4.5017	4.2317	3.8913	2.8660	2.9898	2.1560	3.2054	2.1859	2.1513	1.0809
H7	1.0901	2.1696	2.8430	3.5227	4.2317	4.5017		1.7632	1.7640	2.4882	2.8610	3.7206	2.9984	4.0295	5.1245	5.5518
H8	1.0901	2.1696	3.5227	2.8430	4.5017	4.2317	1.7632		1.7640	2.4882	3.7206	2.8610	4.0295	2.9984	5.5518	5.1245
H9	1.0906	2.1623	2.8403	2.8403	3.8913	3.8913	1.7640	1.7640		3.0522	2.5301	2.5301	3.5422	3.5422	4.8351	4.8351
H10	2.1399	1.0926	2.1429	2.1429	2.8660	2.8660	2.4882	2.4882	3.0522		3.0210	3.0210	2.3463	2.3463	3.8091	3.8091
H11	2.6676	2.1959	1.0950	3.0121	2.1560	2.9898	2.8610	3.7206	2.5301	3.0210		3.2085	1.7548	4.0332	2.7401	3.9761
H12	2.6676	2.1959	3.0121	1.0950	2.9898	2.1560	3.7206	2.8610	2.5301	3.0210	3.2085		4.0332	1.7548	3.9761	2.7401
H13	3.0978	2.2033	1.0911	3.3580	2.1859	3.2054	2.9984	4.0295	3.5422	2.3463	1.7548	4.0332		4.1100	2.6424	4.1971
H14	3.0978	2.2033	3.3580	1.0911	3.2054	2.1859	4.0295	2.9984	3.5422	2.3463	4.0332	1.7548	4.1100		4.1971	2.6424
H15	4.7269	3.4306	2.2871	3.4029	1.0809	2.1513	5.1245	5.5518	4.8351	3.8091	2.7401	3.9761	2.6424	4.1971		2.5872
H16	4.7269	3.4306	3.4029	2.2871	2.1513	1.0809	5.5518	5.1245	4.8351	3.8091	3.9761	2.7401	4.1971	2.6424	2.5872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.226	H1	C2	C7	27.945
C2	C4	H3	37.572	C2	C4	C10	29.143
C2	C7	H5	23.202	C2	C7	H6	10.033
C2	C7	C12	31.753	H3	C4	C10	55.071
C4	C2	C7	142.170	C4	C10	H8	75.328
C4	C10	H9	63.480	C4	C10	C12	14.773
H5	C7	H6	17.259	H5	C7	C12	43.579
H6	C7	C12	28.423	C7	C12	C10	41.724
C7	C12	H11	48.077	C7	C12	C16	117.682
H8	C10	H9	35.306	H8	C10	C12	61.679
H9	C10	C12	49.236	C10	C12	H11	57.924
C10	C12	C16	82.624	H11	C12	C16	83.490
C12	C16	H13	67.351	C12	C16	H14	38.001
C12	C16	H15	96.510	H13	C16	H14	69.671
H13	C16	H15	37.076	H14	C16	H15	106.747

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: MP3/6-31+G**

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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All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)