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	hartrees
Energy at 0K	-270.871329
Energy at 298.15K	-270.884336
HF Energy	-270.016090
Nuclear repulsion energy	260.476365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	2987	45.20
2	A'	3161	2978	38.00
3	A'	3146	2965	22.94
4	A'	3101	2921	9.42
5	A'	3088	2910	23.43
6	A'	3038	2863	84.70
7	A'	1571	1481	4.45
8	A'	1555	1465	4.64
9	A'	1546	1456	7.14
10	A'	1463	1378	8.11
11	A'	1427	1344	1.03
12	A'	1359	1281	2.90
13	A'	1324	1247	5.37
14	A'	1219	1149	3.23
15	A'	1083	1021	7.13
16	A'	1054	993	9.07
17	A'	917	864	18.20
18	A'	893	841	6.34
19	A'	856	806	3.50
20	A'	578	544	4.01
21	A'	442	417	1.23
22	A'	421	397	5.79
23	A'	262	247	4.19
24	A"	3168	2985	31.32
25	A"	3156	2973	28.02
26	A"	3101	2921	31.09
27	A"	3035	2859	18.13
28	A"	1556	1466	0.29
29	A"	1535	1446	2.52
30	A"	1433	1351	8.78
31	A"	1428	1345	1.73
32	A"	1392	1311	1.05
33	A"	1337	1260	6.85
34	A"	1265	1192	34.52
35	A"	1225	1154	1.10
36	A"	1167	1100	63.03
37	A"	1101	1037	17.98
38	A"	1016	957	3.87
39	A"	922	869	1.06
40	A"	847	798	0.45
41	A"	467	440	0.01
42	A"	252	238	0.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.426	0.000
C2	0.070	-1.457	0.000
H3	-0.990	-1.745	0.000
H4	0.651	-2.385	0.000
C5	0.365	-0.630	1.250
C6	0.365	-0.630	-1.250
C7	-0.363	0.703	-1.173
C8	-0.363	0.703	1.173
H9	0.068	-1.167	2.159
H10	0.068	-1.167	-2.159
H11	1.441	-0.434	1.320
H12	1.441	-0.434	-1.320
H13	-1.454	0.539	-1.187
H14	-1.454	0.539	1.187
H15	-0.106	1.353	-2.014
H16	-0.106	1.353	2.014

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8835	3.3220	3.8663	2.4335	2.4335	1.4250	1.4250	3.3744	3.3744	2.6978	2.6978	2.0756	2.0756	2.0184	2.0184
C2	2.8835		1.0983	1.0954	1.5273	1.5273	2.4962	2.4962	2.1781	2.1781	2.1603	2.1603	2.7770	2.7770	3.4618	3.4618
H3	3.3220	1.0983		1.7613	2.1544	2.1544	2.7868	2.7868	2.4724	2.4724	3.0610	3.0610	2.6154	2.6154	3.7997	3.7997
H4	3.8663	1.0954	1.7613		2.1736	2.1736	3.4562	3.4562	2.5465	2.5465	2.4843	2.4843	3.7932	3.7932	4.3136	4.3136
C5	2.4335	1.5273	2.1544	2.1736		2.4996	2.8602	1.5213	1.0967	3.4633	1.0960	2.7924	3.2574	2.1630	3.8484	2.1771
C6	2.4335	1.5273	2.1544	2.1736	2.4996		1.5213	2.8602	3.4633	1.0967	2.7924	1.0960	2.1630	3.2574	2.1771	3.8484
C7	1.4250	2.4962	2.7868	3.4562	2.8602	1.5213		2.3470	3.8454	2.1574	3.2810	2.1380	1.1031	2.6051	1.0931	3.2634
C8	1.4250	2.4962	2.7868	3.4562	1.5213	2.8602	2.3470		2.1574	3.8454	2.1380	3.2810	2.6051	1.1031	3.2634	1.0931
H9	3.3744	2.1781	2.4724	2.5465	1.0967	3.4633	3.8454	2.1574		4.3174	1.7685	3.8107	4.0515	2.4837	4.8780	2.5302
H10	3.3744	2.1781	2.4724	2.5465	3.4633	1.0967	2.1574	3.8454	4.3174		3.8107	1.7685	2.4837	4.0515	2.5302	4.8780
H11	2.6978	2.1603	3.0610	2.4843	1.0960	2.7924	3.2810	2.1380	1.7685	3.8107		2.6390	3.9507	3.0570	4.0871	2.4643
H12	2.6978	2.1603	3.0610	2.4843	2.7924	1.0960	2.1380	3.2810	3.8107	1.7685	2.6390		3.0570	3.9507	2.4643	4.0871
H13	2.0756	2.7770	2.6154	3.7932	3.2574	2.1630	1.1031	2.6051	4.0515	2.4837	3.9507	3.0570		2.3731	1.7786	3.5670
H14	2.0756	2.7770	2.6154	3.7932	2.1630	3.2574	2.6051	1.1031	2.4837	4.0515	3.0570	3.9507	2.3731		3.5670	1.7786
H15	2.0184	3.4618	3.7997	4.3136	3.8484	2.1771	1.0931	3.2634	4.8780	2.5302	4.0871	2.4643	1.7786	3.5670		4.0286
H16	2.0184	3.4618	3.7997	4.3136	2.1771	3.8484	3.2634	1.0931	2.5302	4.8780	2.4643	4.0871	3.5670	1.7786	4.0286

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.328	O1	C7	H13	109.714
O1	C7	H15	105.802	O1	C8	C5	111.328
O1	C8	H14	109.714	O1	C8	H16	105.802
C2	C5	C8	109.932	C2	C5	H9	111.147
C2	C5	H11	109.786	C2	C6	C7	109.932
C2	C6	H10	111.147	C2	C6	H12	109.786
H3	C2	H4	106.816	H3	C2	C5	109.189
H3	C2	C6	109.189	H4	C2	C5	110.871
H4	C2	C6	110.871	C5	C2	C6	109.833
C5	C8	H14	109.991	C5	C8	H16	111.718
C6	C7	H13	109.991	C6	C7	H15	111.718
C7	O1	C8	110.868	C7	C6	H10	109.926
C7	C6	H12	108.456	C8	C5	H9	109.926
C8	C5	H11	108.456	H9	C5	H11	107.524
H10	C6	H12	107.524	H13	C7	H15	108.159
H14	C8	H16	108.159

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C5H10O (2H-Pyran, tetrahydro-)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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