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	hartrees
Energy at 0K	-270.975442
Energy at 298.15K
HF Energy	-270.032231
Nuclear repulsion energy	260.423682

Atom	x (Å)	y (Å)	z (Å)
O1	-0.665	-1.257	0.000
C2	0.628	1.321	0.000
H3	1.695	1.081	0.000
H4	0.545	2.408	0.000
C5	-0.020	0.729	1.255
C6	-0.020	0.729	-1.255
C7	-0.020	-0.796	-1.174
C8	-0.020	-0.796	1.174
H9	0.504	1.053	2.156
H10	0.504	1.053	-2.156
H11	-1.054	1.072	1.332
H12	-1.054	1.072	-1.332
H13	1.014	-1.166	-1.209
H14	1.014	-1.166	1.209
H15	-0.562	-1.234	-2.011
H16	-0.562	-1.234	2.011

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8840	3.3223	3.8597	2.4358	2.4358	1.4162	1.4162	3.3690	3.3690	2.7109	2.7109	2.0715	2.0715	2.0135	2.0135
C2	2.8840		1.0937	1.0902	1.5319	1.5319	2.5059	2.5059	2.1759	2.1759	2.1598	2.1598	2.7922	2.7922	3.4620	3.4620
H3	3.3223	1.0937		1.7556	2.1546	2.1546	2.8008	2.8008	2.4633	2.4633	3.0546	3.0546	2.6412	2.6412	3.8073	3.8073
H4	3.8597	1.0902	1.7556		2.1716	2.1716	3.4589	3.4589	2.5465	2.5465	2.4733	2.4733	3.8020	3.8020	4.3049	4.3049
C5	2.4358	1.5319	2.1546	2.1716		2.5102	2.8677	1.5268	1.0914	3.4662	1.0916	2.8070	3.2762	2.1590	3.8483	2.1715
C6	2.4358	1.5319	2.1546	2.1716	2.5102		1.5268	2.8677	3.4662	1.0914	2.8070	1.0916	2.1590	3.2762	2.1715	3.8483
C7	1.4162	2.5059	2.8008	3.4589	2.8677	1.5268		2.3474	3.8445	2.1584	3.2918	2.1406	1.0993	2.6243	1.0886	3.2596
C8	1.4162	2.5059	2.8008	3.4589	1.5268	2.8677	2.3474		2.1584	3.8445	2.1406	3.2918	2.6243	1.0993	3.2596	1.0886
H9	3.3690	2.1759	2.4633	2.5465	1.0914	3.4662	3.8445	2.1584		4.3116	1.7620	3.8198	4.0632	2.4658	4.8709	2.5272
H10	3.3690	2.1759	2.4633	2.5465	3.4662	1.0914	2.1584	3.8445	4.3116		3.8198	1.7620	2.4658	4.0632	2.5272	4.8709
H11	2.7109	2.1598	3.0546	2.4733	1.0916	2.8070	3.2918	2.1406	1.7620	3.8198		2.6641	3.9678	3.0494	4.0906	2.4535
H12	2.7109	2.1598	3.0546	2.4733	2.8070	1.0916	2.1406	3.2918	3.8198	1.7620	2.6641		3.0494	3.9678	2.4535	4.0906
H13	2.0715	2.7922	2.6412	3.8020	3.2762	2.1590	1.0993	2.6243	4.0632	2.4658	3.9678	3.0494		2.4190	1.7691	3.5857
H14	2.0715	2.7922	2.6412	3.8020	2.1590	3.2762	2.6243	1.0993	2.4658	4.0632	3.0494	3.9678	2.4190		3.5857	1.7691
H15	2.0135	3.4620	3.8073	4.3049	3.8483	2.1715	1.0886	3.2596	4.8709	2.5272	4.0906	2.4535	1.7691	3.5857		4.0213
H16	2.0135	3.4620	3.8073	4.3049	2.1715	3.8483	3.2596	1.0886	2.5272	4.8709	2.4535	4.0906	3.5857	1.7691	4.0213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.665	O1	C7	H13	110.236
O1	C7	H15	106.258	O1	C8	C5	111.665
O1	C8	H14	110.236	O1	C8	H16	106.258
C2	C5	C8	110.029	C2	C5	H9	110.971
C2	C5	H11	109.684	C2	C6	C7	110.029
C2	C6	H10	110.971	C2	C6	H12	109.684
H3	C2	H4	107.003	H3	C2	C5	109.159
H3	C2	C6	109.159	H4	C2	C5	110.705
H4	C2	C6	110.705	C5	C2	C6	110.037
C5	C8	H14	109.522	C5	C8	H16	111.144
C6	C7	H13	109.522	C6	C7	H15	111.144
C7	O1	C8	111.947	C7	C6	H10	109.937
C7	C6	H12	108.526	C8	C5	H9	109.937
C8	C5	H11	108.526	H9	C5	H11	107.629
H10	C6	H12	107.629	H13	C7	H15	107.911
H14	C8	H16	107.911

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)

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 C5H10O (2H-Pyran, tetrahydro-)

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

States and conformations

All results from a given calculation for C₅H₁₀O (2H-Pyran, tetrahydro-)