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	hartrees
Energy at 0K	-271.705985
Energy at 298.15K	-271.718898
Nuclear repulsion energy	260.695927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	2975	42.83
2	A'	3126	2964	55.81
3	A'	3114	2953	37.26
4	A'	3072	2914	15.00
5	A'	3056	2898	27.06
6	A'	2997	2843	103.79
7	A'	1541	1461	3.63
8	A'	1524	1445	6.27
9	A'	1512	1434	7.52
10	A'	1451	1376	9.66
11	A'	1405	1333	0.68
12	A'	1352	1282	4.00
13	A'	1306	1239	6.00
14	A'	1195	1133	3.67
15	A'	1076	1020	9.57
16	A'	1038	985	10.25
17	A'	916	869	19.46
18	A'	874	829	5.57
19	A'	849	805	1.67
20	A'	566	536	3.72
21	A'	439	416	1.57
22	A'	405	384	4.71
23	A'	251	238	3.47
24	A"	3135	2973	47.13
25	A"	3120	2959	37.41
26	A"	3072	2913	30.21
27	A"	2991	2837	20.99
28	A"	1525	1446	0.55
29	A"	1503	1425	2.31
30	A"	1419	1346	10.67
31	A"	1405	1333	0.83
32	A"	1373	1302	0.02
33	A"	1324	1255	10.01
34	A"	1257	1192	52.61
35	A"	1211	1149	0.01
36	A"	1162	1102	67.59
37	A"	1084	1028	8.62
38	A"	998	946	3.23
39	A"	907	860	0.50
40	A"	832	789	0.28
41	A"	467	443	0.01
42	A"	243	231	0.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.420	0.000
C2	0.064	-1.460	0.000
H3	-0.995	-1.751	0.000
H4	0.646	-2.388	0.000
C5	0.358	-0.633	1.252
C6	0.358	-0.633	-1.252
C7	-0.353	0.712	-1.169
C8	-0.353	0.712	1.169
H9	0.046	-1.165	2.158
H10	0.046	-1.165	-2.158
H11	1.437	-0.454	1.333
H12	1.437	-0.454	-1.333
H13	-1.446	0.559	-1.197
H14	-1.446	0.559	1.197
H15	-0.084	1.358	-2.008
H16	-0.084	1.358	2.008

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8812	3.3242	3.8630	2.4317	2.4317	1.4120	1.4120	3.3680	3.3680	2.7123	2.7123	2.0661	2.0661	2.0111	2.0111
C2	2.8812		1.0988	1.0952	1.5289	1.5289	2.5015	2.5015	2.1785	2.1785	2.1619	2.1619	2.7913	2.7913	3.4640	3.4640
H3	3.3242	1.0988		1.7602	2.1562	2.1562	2.8009	2.8009	2.4670	2.4670	3.0620	3.0620	2.6406	2.6406	3.8122	3.8122
H4	3.8630	1.0952	1.7602		2.1750	2.1750	3.4604	3.4604	2.5524	2.5524	2.4788	2.4788	3.8071	3.8071	4.3131	4.3131
C5	2.4317	1.5289	2.1562	2.1750		2.5040	2.8594	1.5237	1.0961	3.4656	1.0966	2.8071	3.2675	2.1632	3.8460	2.1758
C6	2.4317	1.5289	2.1562	2.1750	2.5040		1.5237	2.8594	3.4656	1.0961	2.8071	1.0966	2.1632	3.2675	2.1758	3.8460
C7	1.4120	2.5015	2.8009	3.4604	2.8594	1.5237		2.3381	3.8408	2.1585	3.2903	2.1427	1.1041	2.6113	1.0931	3.2537
C8	1.4120	2.5015	2.8009	3.4604	1.5237	2.8594	2.3381		2.1585	3.8408	2.1427	3.2903	2.6113	1.1041	3.2537	1.0931
H9	3.3680	2.1785	2.4670	2.5524	1.0961	3.4656	3.8408	2.1585		4.3165	1.7665	3.8251	4.0569	2.4739	4.8728	2.5309
H10	3.3680	2.1785	2.4670	2.5524	3.4656	1.0961	2.1585	3.8408	4.3165		3.8251	1.7665	2.4739	4.0569	2.5309	4.8728
H11	2.7123	2.1619	3.0620	2.4788	1.0966	2.8071	3.2903	2.1427	1.7665	3.8251		2.6666	3.9679	3.0590	4.0947	2.4607
H12	2.7123	2.1619	3.0620	2.4788	2.8071	1.0966	2.1427	3.2903	3.8251	1.7665	2.6666		3.0590	3.9679	2.4607	4.0947
H13	2.0661	2.7913	2.6406	3.8071	3.2675	2.1632	1.1041	2.6113	4.0569	2.4739	3.9679	3.0590		2.3950	1.7755	3.5739
H14	2.0661	2.7913	2.6406	3.8071	2.1632	3.2675	2.6113	1.1041	2.4739	4.0569	3.0590	3.9679	2.3950		3.5739	1.7755
H15	2.0111	3.4640	3.8122	4.3131	3.8460	2.1758	1.0931	3.2537	4.8728	2.5309	4.0947	2.4607	1.7755	3.5739		4.0168
H16	2.0111	3.4640	3.8122	4.3131	2.1758	3.8460	3.2537	1.0931	2.5309	4.8728	2.4607	4.0947	3.5739	1.7755	4.0168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.793	O1	C7	H13	109.793
O1	C7	H15	106.096	O1	C8	C5	111.793
O1	C8	H14	109.793	O1	C8	H16	106.096
C2	C5	C8	110.064	C2	C5	H9	111.103
C2	C5	H11	109.758	C2	C6	C7	110.064
C2	C6	H10	111.103	C2	C6	H12	109.758
H3	C2	H4	106.692	H3	C2	C5	109.184
H3	C2	C6	109.184	H4	C2	C5	110.876
H4	C2	C6	110.876	C5	C2	C6	109.947
C5	C8	H14	109.781	C5	C8	H16	111.433
C6	C7	H13	109.781	C6	C7	H15	111.433
C7	O1	C8	111.774	C7	C6	H10	109.886
C7	C6	H12	108.617	C8	C5	H9	109.886
C8	C5	H11	108.617	H9	C5	H11	107.341
H10	C6	H12	107.341	H13	C7	H15	107.811
H14	C8	H16	107.811

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

using model chemistry: mPW1PW91/6-31G*

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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Number	Element	Mulliken
1	O	-0.470
2	C	-0.333
3	H	0.160
4	H	0.171
5	C	-0.338
6	C	-0.338
7	C	-0.079
8	C	-0.079
9	H	0.164
10	H	0.164
11	H	0.173
12	H	0.173
13	H	0.141
14	H	0.141
15	H	0.174
16	H	0.174

	x	y	z	Total
	-0.357	-1.379	0.000	1.424
CHELPG
AIM
ESP

<r²>	151.424
(<r²>)^1/2	12.305

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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