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	hartrees
Energy at 0K	-271.063715
Energy at 298.15K	-271.076703
HF Energy	-270.069678
Nuclear repulsion energy	260.703516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	2986	42.00
2	A'	3141	2975	49.98
3	A'	3126	2961	24.82
4	A'	3079	2916	12.07
5	A'	3068	2906	27.67
6	A'	3018	2858	99.27
7	A'	1550	1468	5.44
8	A'	1532	1451	7.58
9	A'	1522	1442	9.74
10	A'	1447	1370	5.39
11	A'	1405	1331	3.04
12	A'	1355	1283	4.70
13	A'	1314	1244	5.30
14	A'	1203	1139	2.93
15	A'	1076	1019	9.83
16	A'	1042	987	8.62
17	A'	916	867	21.26
18	A'	879	833	6.61
19	A'	849	804	2.76
20	A'	574	543	3.66
21	A'	440	416	0.80
22	A'	420	398	5.97
23	A'	262	248	4.09
24	A"	3152	2985	37.02
25	A"	3135	2969	29.46
26	A"	3079	2916	35.11
27	A"	3014	2854	21.87
28	A"	1534	1453	1.72
29	A"	1510	1430	3.95
30	A"	1416	1341	6.09
31	A"	1408	1334	0.99
32	A"	1375	1302	1.30
33	A"	1329	1259	7.30
34	A"	1256	1189	39.94
35	A"	1217	1153	0.30
36	A"	1162	1100	63.17
37	A"	1089	1031	16.60
38	A"	1002	949	4.00
39	A"	912	864	0.45
40	A"	832	788	0.32
41	A"	457	433	0.01
42	A"	248	235	0.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.426	0.000
C2	0.073	-1.461	0.000
H3	-0.984	-1.757	0.000
H4	0.661	-2.384	0.000
C5	0.363	-0.630	1.250
C6	0.363	-0.630	-1.250
C7	-0.363	0.706	-1.167
C8	-0.363	0.706	1.167
H9	0.060	-1.163	2.158
H10	0.060	-1.163	-2.158
H11	1.439	-0.437	1.325
H12	1.439	-0.437	-1.325
H13	-1.453	0.541	-1.176
H14	-1.453	0.541	1.176
H15	-0.109	1.352	-2.009
H16	-0.109	1.352	2.009

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8881	3.3322	3.8672	2.4339	2.4339	1.4184	1.4184	3.3713	3.3713	2.7017	2.7017	2.0680	2.0680	2.0138	2.0138
C2	2.8881		1.0977	1.0946	1.5284	1.5284	2.4987	2.4987	2.1785	2.1785	2.1613	2.1613	2.7784	2.7784	3.4617	3.4617
H3	3.3322	1.0977		1.7604	2.1557	2.1557	2.7950	2.7950	2.4696	2.4696	3.0612	3.0612	2.6241	2.6241	3.8040	3.8040
H4	3.8672	1.0946	1.7604		2.1738	2.1738	3.4573	3.4573	2.5513	2.5513	2.4804	2.4804	3.7959	3.7959	4.3115	4.3115
C5	2.4339	1.5284	2.1557	2.1738		2.4995	2.8548	1.5227	1.0959	3.4625	1.0956	2.7975	3.2489	2.1628	3.8440	2.1751
C6	2.4339	1.5284	2.1557	2.1738	2.4995		1.5227	2.8548	3.4625	1.0959	2.7975	1.0956	2.1628	3.2489	2.1751	3.8440
C7	1.4184	2.4987	2.7950	3.4573	2.8548	1.5227		2.3331	3.8370	2.1571	3.2804	2.1392	1.1027	2.5889	1.0921	3.2510
C8	1.4184	2.4987	2.7950	3.4573	1.5227	2.8548	2.3331		2.1571	3.8370	2.1392	3.2804	2.5889	1.1027	3.2510	1.0921
H9	3.3713	2.1785	2.4696	2.5513	1.0959	3.4625	3.8370	2.1571		4.3160	1.7674	3.8163	4.0382	2.4815	4.8706	2.5253
H10	3.3713	2.1785	2.4696	2.5513	3.4625	1.0959	2.1571	3.8370	4.3160		3.8163	1.7674	2.4815	4.0382	2.5253	4.8706
H11	2.7017	2.1613	3.0612	2.4804	1.0956	2.7975	3.2804	2.1392	1.7674	3.8163		2.6507	3.9467	3.0567	4.0889	2.4630
H12	2.7017	2.1613	3.0612	2.4804	2.7975	1.0956	2.1392	3.2804	3.8163	1.7674	2.6507		3.0567	3.9467	2.4630	4.0889
H13	2.0680	2.7784	2.6241	3.7959	3.2489	2.1628	1.1027	2.5889	4.0382	2.4815	3.9467	3.0567		2.3515	1.7769	3.5507
H14	2.0680	2.7784	2.6241	3.7959	2.1628	3.2489	2.5889	1.1027	2.4815	4.0382	3.0567	3.9467	2.3515		3.5507	1.7769
H15	2.0138	3.4617	3.8040	4.3115	3.8440	2.1751	1.0921	3.2510	4.8706	2.5253	4.0889	2.4630	1.7769	3.5507		4.0188
H16	2.0138	3.4617	3.8040	4.3115	2.1751	3.8440	3.2510	1.0921	2.5253	4.8706	2.4630	4.0889	3.5507	1.7769	4.0188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.651	O1	C7	H13	109.589
O1	C7	H15	105.938	O1	C8	C5	111.651
O1	C8	H14	109.589	O1	C8	H16	105.938
C2	C5	C8	109.963	C2	C5	H9	111.153
C2	C5	H11	109.813	C2	C6	C7	109.963
C2	C6	H10	111.153	C2	C6	H12	109.813
H3	C2	H4	106.839	H3	C2	C5	109.251
H3	C2	C6	109.251	H4	C2	C5	110.861
H4	C2	C6	110.861	C5	C2	C6	109.714
C5	C8	H14	109.900	C5	C8	H16	111.518
C6	C7	H13	109.900	C6	C7	H15	111.518
C7	O1	C8	110.656	C7	C6	H10	109.855
C7	C6	H12	108.480	C8	C5	H9	109.855
C8	C5	H11	108.480	H9	C5	H11	107.508
H10	C6	H12	107.508	H13	C7	H15	108.113
H14	C8	H16	108.113

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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