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	hartrees
Energy at 0K	-270.486861
Energy at 298.15K	-270.499570
HF Energy	-269.931566
Nuclear repulsion energy	253.645870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3138	3029	39.33
2	A'	3102	2994	85.55
3	A'	3087	2980	35.12
4	A'	3033	2927	13.52
5	A'	3019	2914	37.63
6	A'	3000	2896	106.92
7	A'	1535	1482	7.16
8	A'	1518	1466	2.64
9	A'	1515	1463	9.38
10	A'	1418	1369	1.07
11	A'	1402	1353	3.35
12	A'	1298	1253	0.68
13	A'	1291	1246	4.51
14	A'	1205	1164	2.43
15	A'	1047	1011	6.01
16	A'	1022	987	7.03
17	A'	879	849	7.63
18	A'	837	808	12.35
19	A'	769	743	10.31
20	A'	551	532	5.38
21	A'	419	404	3.57
22	A'	370	357	5.01
23	A'	237	228	7.30
24	A"	3135	3027	41.47
25	A"	3094	2987	29.07
26	A"	3032	2927	60.79
27	A"	2998	2894	25.33
28	A"	1522	1469	0.70
29	A"	1504	1452	4.21
30	A"	1409	1360	0.68
31	A"	1393	1344	0.00
32	A"	1377	1329	8.58
33	A"	1300	1255	3.69
34	A"	1209	1167	13.39
35	A"	1174	1134	5.28
36	A"	1100	1062	3.03
37	A"	1038	1002	59.76
38	A"	996	962	11.31
39	A"	875	845	1.08
40	A"	818	789	1.51
41	A"	445	430	0.05
42	A"	230	222	1.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.475	0.000
C2	0.052	-1.488	0.000
H3	-1.026	-1.753	0.000
H4	0.631	-2.430	0.000
C5	0.377	-0.650	1.282
C6	0.377	-0.650	-1.282
C7	-0.370	0.714	-1.231
C8	-0.370	0.714	1.231
H9	0.082	-1.201	2.197
H10	0.082	-1.201	-2.197
H11	1.466	-0.456	1.331
H12	1.466	-0.456	-1.331
H13	-1.469	0.555	-1.238
H14	-1.469	0.555	1.238
H15	-0.086	1.378	-2.061
H16	-0.086	1.378	2.061

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.9631	3.3865	3.9559	2.5105	2.5105	1.4936	1.4936	3.4636	3.4636	2.7654	2.7654	2.1303	2.1303	2.0652	2.0652
C2	2.9631		1.1100	1.1061	1.5657	1.5657	2.5573	2.5573	2.2160	2.2160	2.1986	2.1986	2.8319	2.8319	3.5331	3.5331
H3	3.3865	1.1100		1.7899	2.1972	2.1972	2.8334	2.8334	2.5216	2.5216	3.1081	3.1081	2.6558	2.6558	3.8647	3.8647
H4	3.9559	1.1061	1.7899		2.2086	2.2086	3.5217	3.5217	2.5767	2.5767	2.5233	2.5233	3.8542	3.8542	4.3897	4.3897
C5	2.5105	1.5657	2.1972	2.2086		2.5647	2.9554	1.5560	1.1081	3.5352	1.1070	2.8373	3.3488	2.2054	3.9381	2.2218
C6	2.5105	1.5657	2.1972	2.2086	2.5647		1.5560	2.9554	3.5352	1.1081	2.8373	1.1070	2.2054	3.3488	2.2218	3.9381
C7	1.4936	2.5573	2.8334	3.5217	2.9554	1.5560		2.4617	3.9526	2.1922	3.3613	2.1789	1.1111	2.7075	1.1009	3.3705
C8	1.4936	2.5573	2.8334	3.5217	1.5560	2.9554	2.4617		2.1922	3.9526	2.1789	3.3613	2.7075	1.1111	3.3705	1.1009
H9	3.4636	2.2160	2.5216	2.5767	1.1081	3.5352	3.9526	2.1922		4.3944	1.7951	3.8622	4.1583	2.5318	4.9817	2.5888
H10	3.4636	2.2160	2.5216	2.5767	3.5352	1.1081	2.1922	3.9526	4.3944		3.8622	1.7951	2.5318	4.1583	2.5888	4.9817
H11	2.7654	2.1986	3.1081	2.5233	1.1070	2.8373	3.3613	2.1789	1.7951	3.8622		2.6612	4.0293	3.1057	4.1565	2.5111
H12	2.7654	2.1986	3.1081	2.5233	2.8373	1.1070	2.1789	3.3613	3.8622	1.7951	2.6612		3.1057	4.0293	2.5111	4.1565
H13	2.1303	2.8319	2.6558	3.8542	3.3488	2.2054	1.1111	2.7075	4.1583	2.5318	4.0293	3.1057		2.4763	1.8085	3.6714
H14	2.1303	2.8319	2.6558	3.8542	2.2054	3.3488	2.7075	1.1111	2.5318	4.1583	3.1057	4.0293	2.4763		3.6714	1.8085
H15	2.0652	3.5331	3.8647	4.3897	3.9381	2.2218	1.1009	3.3705	4.9817	2.5888	4.1565	2.5111	1.8085	3.6714		4.1224
H16	2.0652	3.5331	3.8647	4.3897	2.2218	3.9381	3.3705	1.1009	2.5888	4.9817	2.5111	4.1565	3.6714	1.8085	4.1224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.802	O1	C7	H13	108.861
O1	C7	H15	104.483	O1	C8	C5	110.802
O1	C8	H14	108.861	O1	C8	H16	104.483
C2	C5	C8	110.008	C2	C5	H9	110.781
C2	C5	H11	109.502	C2	C6	C7	110.008
C2	C6	H10	110.781	C2	C6	H12	109.502
H3	C2	H4	107.742	H3	C2	C5	109.222
H3	C2	C6	109.222	H4	C2	C5	110.320
H4	C2	C6	110.320	C5	C2	C6	109.969
C5	C8	H14	110.449	C5	C8	H16	112.358
C6	C7	H13	110.449	C6	C7	H15	112.358
C7	O1	C8	110.992	C7	C6	H10	109.596
C7	C6	H12	108.640	C8	C5	H9	109.596
C8	C5	H11	108.640	H9	C5	H11	108.266
H10	C6	H12	108.266	H13	C7	H15	109.688
H14	C8	H16	109.688

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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