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	hartrees
Energy at 0K	-270.844195
Energy at 298.15K	-270.857191
HF Energy	-270.015973
Nuclear repulsion energy	260.213588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	2989	45.42
2	A'	3160	2980	38.69
3	A'	3146	2966	22.98
4	A'	3100	2923	9.43
5	A'	3088	2912	23.51
6	A'	3038	2865	84.94
7	A'	1571	1481	4.34
8	A'	1554	1465	4.48
9	A'	1545	1457	6.93
10	A'	1461	1378	8.29
11	A'	1425	1344	0.90
12	A'	1357	1279	2.84
13	A'	1322	1247	5.41
14	A'	1218	1149	3.24
15	A'	1081	1020	7.06
16	A'	1053	993	9.08
17	A'	915	863	18.13
18	A'	891	841	6.28
19	A'	854	806	3.50
20	A'	577	544	4.01
21	A'	441	416	1.24
22	A'	420	396	5.80
23	A'	261	246	4.18
24	A"	3167	2987	31.59
25	A"	3155	2975	27.85
26	A"	3100	2923	31.53
27	A"	3034	2861	18.11
28	A"	1555	1467	0.27
29	A"	1535	1447	2.42
30	A"	1431	1350	8.78
31	A"	1426	1345	1.90
32	A"	1390	1311	1.03
33	A"	1335	1259	6.82
34	A"	1263	1191	34.16
35	A"	1223	1153	1.19
36	A"	1165	1098	62.88
37	A"	1099	1036	18.29
38	A"	1014	956	3.88
39	A"	920	868	1.10
40	A"	846	798	0.48
41	A"	466	439	0.01
42	A"	252	237	0.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.681	-1.254	0.000
C2	0.639	1.311	0.000
H3	1.707	1.055	0.000
H4	0.573	2.405	0.000
C5	-0.020	0.729	1.249
C6	-0.020	0.729	-1.249
C7	-0.020	-0.792	-1.173
C8	-0.020	-0.792	1.173
H9	0.501	1.055	2.158
H10	0.501	1.055	-2.158
H11	-1.057	1.076	1.319
H12	-1.057	1.076	-1.319
H13	1.017	-1.169	-1.194
H14	1.017	-1.169	1.194
H15	-0.562	-1.235	-2.012
H16	-0.562	-1.235	2.012

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8850	3.3217	3.8675	2.4353	2.4353	1.4235	1.4235	3.3744	3.3744	2.7036	2.7036	2.0777	2.0777	2.0159	2.0159
C2	2.8850		1.0984	1.0955	1.5278	1.5278	2.4965	2.4965	2.1771	2.1771	2.1615	2.1615	2.7790	2.7790	3.4606	3.4606
H3	3.3217	1.0984		1.7635	2.1563	2.1563	2.7872	2.7872	2.4718	2.4718	3.0630	3.0630	2.6172	2.6172	3.8004	3.8004
H4	3.8675	1.0955	1.7635		2.1725	2.1725	3.4560	3.4560	2.5458	2.5458	2.4820	2.4820	3.7945	3.7945	4.3109	4.3109
C5	2.4353	1.5278	2.1563	2.1725		2.4988	2.8601	1.5226	1.0968	3.4621	1.0962	2.7913	3.2636	2.1637	3.8458	2.1755
C6	2.4353	1.5278	2.1563	2.1725	2.4988		1.5226	2.8601	3.4621	1.0968	2.7913	1.0962	2.1637	3.2636	2.1755	3.8458
C7	1.4235	2.4965	2.7872	3.4560	2.8601	1.5226		2.3458	3.8439	2.1571	3.2820	2.1415	1.1037	2.6119	1.0933	3.2614
C8	1.4235	2.4965	2.7872	3.4560	1.5226	2.8601	2.3458		2.1571	3.8439	2.1415	3.2820	2.6119	1.1037	3.2614	1.0933
H9	3.3744	2.1771	2.4718	2.5458	1.0968	3.4621	3.8439	2.1571		4.3153	1.7703	3.8096	4.0561	2.4785	4.8749	2.5293
H10	3.3744	2.1771	2.4718	2.5458	3.4621	1.0968	2.1571	3.8439	4.3153		3.8096	1.7703	2.4785	4.0561	2.5293	4.8749
H11	2.7036	2.1615	3.0630	2.4820	1.0962	2.7913	3.2820	2.1415	1.7703	3.8096		2.6370	3.9572	3.0594	4.0840	2.4630
H12	2.7036	2.1615	3.0630	2.4820	2.7913	1.0962	2.1415	3.2820	3.8096	1.7703	2.6370		3.0594	3.9572	2.4630	4.0840
H13	2.0777	2.7790	2.6172	3.7945	3.2636	2.1637	1.1037	2.6119	4.0561	2.4785	3.9572	3.0594		2.3889	1.7798	3.5753
H14	2.0777	2.7790	2.6172	3.7945	2.1637	3.2636	2.6119	1.1037	2.4785	4.0561	3.0594	3.9572	2.3889		3.5753	1.7798
H15	2.0159	3.4606	3.8004	4.3109	3.8458	2.1755	1.0933	3.2614	4.8749	2.5293	4.0840	2.4630	1.7798	3.5753		4.0247
H16	2.0159	3.4606	3.8004	4.3109	2.1755	3.8458	3.2614	1.0933	2.5293	4.8749	2.4630	4.0840	3.5753	1.7798	4.0247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.458	O1	C7	H13	109.949
O1	C7	H15	105.703	O1	C8	C5	111.458
O1	C8	H14	109.949	O1	C8	H16	105.703
C2	C5	C8	109.852	C2	C5	H9	111.029
C2	C5	H11	109.824	C2	C6	C7	109.852
C2	C6	H10	111.029	C2	C6	H12	109.824
H3	C2	H4	106.992	H3	C2	C5	109.292
H3	C2	C6	109.292	H4	C2	C5	110.743
H4	C2	C6	110.743	C5	C2	C6	109.721
C5	C8	H14	109.914	C5	C8	H16	111.482
C6	C7	H13	109.914	C6	C7	H15	111.482
C7	O1	C8	110.968	C7	C6	H10	109.807
C7	C6	H12	108.618	C8	C5	H9	109.807
C8	C5	H11	108.618	H9	C5	H11	107.652
H10	C6	H12	107.652	H13	C7	H15	108.212
H14	C8	H16	108.212

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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