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	hartrees
Energy at 0K	-271.726119
Energy at 298.15K	-271.739027
Nuclear repulsion energy	260.517375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3133	2982	32.40
2	A'	3119	2968	59.62
3	A'	3107	2957	35.86
4	A'	3063	2916	16.91
5	A'	3048	2901	31.48
6	A'	2992	2848	107.55
7	A'	1515	1442	3.99
8	A'	1499	1427	9.12
9	A'	1488	1416	8.44
10	A'	1428	1359	8.85
11	A'	1388	1321	1.35
12	A'	1337	1272	5.16
13	A'	1291	1229	5.25
14	A'	1182	1125	3.44
15	A'	1065	1014	12.18
16	A'	1032	982	9.59
17	A'	907	863	23.53
18	A'	868	826	5.82
19	A'	842	802	2.23
20	A'	565	537	3.94
21	A'	437	416	1.72
22	A'	402	383	4.61
23	A'	249	237	4.23
24	A"	3131	2980	46.85
25	A"	3113	2963	34.78
26	A"	3063	2915	35.13
27	A"	2987	2843	26.45
28	A"	1501	1429	1.84
29	A"	1479	1408	3.48
30	A"	1402	1334	5.38
31	A"	1387	1321	0.80
32	A"	1357	1291	0.03
33	A"	1309	1246	8.93
34	A"	1245	1185	53.60
35	A"	1198	1140	0.00
36	A"	1151	1095	67.52
37	A"	1077	1025	10.62
38	A"	988	940	3.31
39	A"	902	859	0.44
40	A"	825	786	0.41
41	A"	466	443	0.02
42	A"	243	232	0.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.422	0.000
C2	0.061	-1.460	0.000
H3	-0.998	-1.752	0.000
H4	0.642	-2.389	0.000
C5	0.357	-0.635	1.252
C6	0.357	-0.635	-1.252
C7	-0.350	0.712	-1.173
C8	-0.350	0.712	1.173
H9	0.039	-1.165	2.157
H10	0.039	-1.165	-2.157
H11	1.436	-0.462	1.338
H12	1.436	-0.462	-1.338
H13	-1.444	0.566	-1.202
H14	-1.444	0.566	1.202
H15	-0.076	1.359	-2.010
H16	-0.076	1.359	2.010

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8827	3.3265	3.8639	2.4339	2.4339	1.4150	1.4150	3.3683	3.3683	2.7200	2.7200	2.0641	2.0641	2.0126	2.0126
C2	2.8827		1.0985	1.0947	1.5289	1.5289	2.5034	2.5034	2.1773	2.1773	2.1626	2.1626	2.7956	2.7956	3.4652	3.4652
H3	3.3265	1.0985		1.7590	2.1565	2.1565	2.8049	2.8049	2.4642	2.4642	3.0621	3.0621	2.6485	2.6485	3.8165	3.8165
H4	3.8639	1.0947	1.7590		2.1740	2.1740	3.4606	3.4606	2.5521	2.5521	2.4765	2.4765	3.8108	3.8108	4.3126	4.3126
C5	2.4339	1.5289	2.1565	2.1740		2.5049	2.8632	1.5231	1.0957	3.4651	1.0963	2.8116	3.2719	2.1643	3.8477	2.1760
C6	2.4339	1.5289	2.1565	2.1740	2.5049		1.5231	2.8632	3.4651	1.0957	2.8116	1.0963	2.1643	3.2719	2.1760	3.8477
C7	1.4150	2.5034	2.8049	3.4606	2.8632	1.5231		2.3466	3.8428	2.1550	3.2976	2.1435	1.1036	2.6189	1.0924	3.2600
C8	1.4150	2.5034	2.8049	3.4606	1.5231	2.8632	2.3466		2.1550	3.8428	2.1435	3.2976	2.6189	1.1036	3.2600	1.0924
H9	3.3683	2.1773	2.4642	2.5521	1.0957	3.4651	3.8428	2.1550		4.3142	1.7653	3.8289	4.0592	2.4712	4.8733	2.5307
H10	3.3683	2.1773	2.4642	2.5521	3.4651	1.0957	2.1550	3.8428	4.3142		3.8289	1.7653	2.4712	4.0592	2.5307	4.8733
H11	2.7200	2.1626	3.0621	2.4765	1.0963	2.8116	3.2976	2.1435	1.7653	3.8289		2.6760	3.9746	3.0602	4.0999	2.4599
H12	2.7200	2.1626	3.0621	2.4765	2.8116	1.0963	2.1435	3.2976	3.8289	1.7653	2.6760		3.0602	3.9746	2.4599	4.0999
H13	2.0641	2.7956	2.6485	3.8108	3.2719	2.1643	1.1036	2.6189	4.0592	2.4712	3.9746	3.0602		2.4037	1.7755	3.5800
H14	2.0641	2.7956	2.6485	3.8108	2.1643	3.2719	2.6189	1.1036	2.4712	4.0592	3.0602	3.9746	2.4037		3.5800	1.7755
H15	2.0126	3.4652	3.8165	4.3126	3.8477	2.1760	1.0924	3.2600	4.8733	2.5307	4.0999	2.4599	1.7755	3.5800		4.0203
H16	2.0126	3.4652	3.8165	4.3126	2.1760	3.8477	3.2600	1.0924	2.5307	4.8733	2.4599	4.0999	3.5800	1.7755	4.0203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.814	O1	C7	H13	109.459
O1	C7	H15	106.048	O1	C8	C5	111.814
O1	C8	H14	109.459	O1	C8	H16	106.048
C2	C5	C8	110.213	C2	C5	H9	111.036
C2	C5	H11	109.826	C2	C6	C7	110.213
C2	C6	H10	111.036	C2	C6	H12	109.826
H3	C2	H4	106.650	H3	C2	C5	109.230
H3	C2	C6	109.230	H4	C2	C5	110.826
H4	C2	C6	110.826	C5	C2	C6	109.999
C5	C8	H14	109.940	C5	C8	H16	111.532
C6	C7	H13	109.940	C6	C7	H15	111.532
C7	O1	C8	112.025	C7	C6	H10	109.668
C7	C6	H12	108.739	C8	C5	H9	109.668
C8	C5	H11	108.739	H9	C5	H11	107.285
H10	C6	H12	107.285	H13	C7	H15	107.901
H14	C8	H16	107.901

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

using model chemistry: mPW1PW91/6-31+G**

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	-0.308
2	C	-0.273
3	H	0.165
4	H	0.166
5	C	-0.304
6	C	-0.304
7	C	-0.209
8	C	-0.209
9	H	0.162
10	H	0.162
11	H	0.175
12	H	0.175
13	H	0.141
14	H	0.141
15	H	0.160
16	H	0.160

	x	y	z	Total
	-0.412	-1.562	0.000	1.616
CHELPG
AIM
ESP

<r²>	152.091
(<r²>)^1/2	12.333

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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