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	hartrees
Energy at 0K	-269.094335
Energy at 298.15K	-269.107225
HF Energy	-268.522245
Nuclear repulsion energy	256.264565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	2998	63.24
2	A'	3143	2990	13.94
3	A'	3126	2973	23.37
4	A'	3089	2938	6.48
5	A'	3073	2923	19.25
6	A'	3029	2882	78.58
7	A'	1597	1519	7.22
8	A'	1581	1504	1.87
9	A'	1578	1501	8.08
10	A'	1466	1394	0.73
11	A'	1431	1361	2.09
12	A'	1340	1275	1.39
13	A'	1334	1269	3.90
14	A'	1211	1152	1.58
15	A'	1073	1021	4.76
16	A'	1022	972	5.63
17	A'	899	856	8.10
18	A'	851	809	11.40
19	A'	808	768	3.25
20	A'	557	530	3.80
21	A'	436	415	2.13
22	A'	396	377	6.02
23	A'	251	238	5.55
24	A"	3146	2993	10.17
25	A"	3139	2986	40.54
26	A"	3089	2938	27.26
27	A"	3027	2879	12.93
28	A"	1583	1506	0.05
29	A"	1566	1490	2.25
30	A"	1430	1360	1.81
31	A"	1427	1358	0.16
32	A"	1418	1349	14.10
33	A"	1349	1283	2.46
34	A"	1251	1190	8.30
35	A"	1220	1161	6.29
36	A"	1087	1034	2.94
37	A"	1077	1024	60.01
38	A"	1030	980	6.40
39	A"	874	832	0.81
40	A"	840	799	0.35
41	A"	459	437	0.08
42	A"	240	228	0.72

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.467	0.000
C2	0.066	-1.477	0.000
H3	-1.000	-1.743	0.000
H4	0.647	-2.407	0.000
C5	0.379	-0.639	1.268
C6	0.379	-0.639	-1.268
C7	-0.377	0.704	-1.207
C8	-0.377	0.704	1.207
H9	0.093	-1.183	2.177
H10	0.093	-1.183	-2.177
H11	1.454	-0.431	1.308
H12	1.454	-0.431	-1.308
H13	-1.463	0.514	-1.215
H14	-1.463	0.514	1.215
H15	-0.118	1.351	-2.050
H16	-0.118	1.351	2.050

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.9448	3.3626	3.9275	2.4875	2.4875	1.4769	1.4769	3.4308	3.4308	2.7255	2.7255	2.1268	2.1268	2.0563	2.0563
C2	2.9448		1.0991	1.0962	1.5516	1.5516	2.5319	2.5319	2.1965	2.1965	2.1752	2.1752	2.7890	2.7890	3.4974	3.4974
H3	3.3626	1.0991		1.7756	2.1747	2.1747	2.7992	2.7992	2.4994	2.4994	3.0753	3.0753	2.6052	2.6052	3.8149	3.8149
H4	3.9275	1.0962	1.7756		2.1917	2.1917	3.4904	3.4904	2.5576	2.5576	2.5032	2.5032	3.8024	3.8024	4.3482	4.3482
C5	2.4875	1.5516	2.1747	2.1917		2.5359	2.9158	1.5427	1.0970	3.4990	1.0961	2.7989	3.2996	2.1738	3.9005	2.1952
C6	2.4875	1.5516	2.1747	2.1917	2.5359		1.5427	2.9158	3.4990	1.0970	2.7989	1.0961	2.1738	3.2996	2.1952	3.9005
C7	1.4769	2.5319	2.7992	3.4904	2.9158	1.5427		2.4141	3.9029	2.1733	3.3117	2.1571	1.1021	2.6610	1.0933	3.3303
C8	1.4769	2.5319	2.7992	3.4904	1.5427	2.9158	2.4141		2.1733	3.9029	2.1571	3.3117	2.6610	1.1021	3.3303	1.0933
H9	3.4308	2.1965	2.4994	2.5576	1.0970	3.4990	3.9029	2.1733		4.3533	1.7815	3.8157	4.0994	2.4954	4.9323	2.5461
H10	3.4308	2.1965	2.4994	2.5576	3.4990	1.0970	2.1733	3.9029	4.3533		3.8157	1.7815	2.4954	4.0994	2.5461	4.9323
H11	2.7255	2.1752	3.0753	2.5032	1.0961	2.7989	3.3117	2.1571	1.7815	3.8157		2.6155	3.9708	3.0679	4.1134	2.4898
H12	2.7255	2.1752	3.0753	2.5032	2.7989	1.0961	2.1571	3.3117	3.8157	1.7815	2.6155		3.0679	3.9708	2.4898	4.1134
H13	2.1268	2.7890	2.6052	3.8024	3.2996	2.1738	1.1021	2.6610	4.0994	2.4954	3.9708	3.0679		2.4299	1.7900	3.6283
H14	2.1268	2.7890	2.6052	3.8024	2.1738	3.2996	2.6610	1.1021	2.4954	4.0994	3.0679	3.9708	2.4299		3.6283	1.7900
H15	2.0563	3.4974	3.8149	4.3482	3.9005	2.1952	1.0933	3.3303	4.9323	2.5461	4.1134	2.4898	1.7900	3.6283		4.0992
H16	2.0563	3.4974	3.8149	4.3482	2.1952	3.9005	3.3303	1.0933	2.5461	4.9323	2.4898	4.1134	3.6283	1.7900	4.0992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.913	O1	C7	H13	110.263
O1	C7	H15	105.293	O1	C8	C5	110.913
O1	C8	H14	110.263	O1	C8	H16	105.293
C2	C5	C8	109.820	C2	C5	H9	110.891
C2	C5	H11	109.273	C2	C6	C7	109.820
C2	C6	H10	110.891	C2	C6	H12	109.273
H3	C2	H4	107.958	H3	C2	C5	109.057
H3	C2	C6	109.057	H4	C2	C5	110.559
H4	C2	C6	110.559	C5	C2	C6	109.607
C5	C8	H14	109.421	C5	C8	H16	111.637
C6	C7	H13	109.421	C6	C7	H15	111.637
C7	O1	C8	109.626	C7	C6	H10	109.683
C7	C6	H12	108.480	C8	C5	H9	109.683
C8	C5	H11	108.480	H9	C5	H11	108.647
H10	C6	H12	108.647	H13	C7	H15	109.245
H14	C8	H16	109.245

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

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

using model chemistry: MP2/3-21G*

States and conformations

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