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	hartrees
Energy at 0K	-271.076898
Energy at 298.15K	-271.089853
HF Energy	-270.047273
Nuclear repulsion energy	260.996211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	2993	48.93
2	A'	3160	2985	13.26
3	A'	3152	2977	17.61
4	A'	3102	2930	8.87
5	A'	3092	2921	19.60
6	A'	3034	2865	72.48
7	A'	1535	1449	4.00
8	A'	1516	1432	4.25
9	A'	1505	1421	6.77
10	A'	1439	1359	7.23
11	A'	1394	1317	1.37
12	A'	1348	1273	4.15
13	A'	1301	1229	5.02
14	A'	1194	1128	2.58
15	A'	1073	1013	8.19
16	A'	1041	983	8.26
17	A'	915	865	17.86
18	A'	875	826	4.84
19	A'	850	803	2.14
20	A'	562	531	3.41
21	A'	435	411	0.65
22	A'	415	392	5.02
23	A'	258	243	3.26
24	A"	3164	2988	0.01
25	A"	3158	2983	53.34
26	A"	3102	2930	23.10
27	A"	3031	2863	18.87
28	A"	1519	1435	0.28
29	A"	1494	1411	1.61
30	A"	1409	1331	7.69
31	A"	1395	1317	0.65
32	A"	1365	1290	0.00
33	A"	1320	1246	8.47
34	A"	1248	1179	43.21
35	A"	1206	1139	0.01
36	A"	1160	1096	57.37
37	A"	1084	1024	12.74
38	A"	994	939	2.98
39	A"	911	860	0.58
40	A"	830	784	0.23
41	A"	457	432	0.02
42	A"	245	231	0.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.425	0.000
C2	0.063	-1.459	0.000
H3	-0.998	-1.733	0.000
H4	0.633	-2.391	0.000
C5	0.368	-0.630	1.247
C6	0.368	-0.630	-1.247
C7	-0.361	0.705	-1.164
C8	-0.361	0.705	1.164
H9	0.070	-1.158	2.157
H10	0.070	-1.158	-2.157
H11	1.443	-0.437	1.311
H12	1.443	-0.437	-1.311
H13	-1.449	0.533	-1.176
H14	-1.449	0.533	1.176
H15	-0.111	1.350	-2.009
H16	-0.111	1.350	2.009

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8847	3.3115	3.8683	2.4320	2.4320	1.4157	1.4157	3.3663	3.3663	2.6961	2.6961	2.0685	2.0685	2.0130	2.0130
C2	2.8847		1.0960	1.0926	1.5285	1.5285	2.4939	2.4939	2.1784	2.1784	2.1608	2.1608	2.7641	2.7641	3.4577	3.4577
H3	3.3115	1.0960		1.7590	2.1538	2.1538	2.7756	2.7756	2.4749	2.4749	3.0592	3.0592	2.5925	2.5925	3.7848	3.7848
H4	3.8683	1.0926	1.7590		2.1744	2.1744	3.4543	3.4543	2.5480	2.5480	2.4892	2.4892	3.7778	3.7778	4.3111	4.3111
C5	2.4320	1.5285	2.1538	2.1744		2.4948	2.8516	1.5238	1.0937	3.4585	1.0940	2.7822	3.2451	2.1591	3.8408	2.1748
C6	2.4320	1.5285	2.1538	2.1744	2.4948		1.5238	2.8516	3.4585	1.0937	2.7822	1.0940	2.1591	3.2451	2.1748	3.8408
C7	1.4157	2.4939	2.7756	3.4543	2.8516	1.5238		2.3286	3.8331	2.1551	3.2695	2.1405	1.1017	2.5867	1.0915	3.2474
C8	1.4157	2.4939	2.7756	3.4543	1.5238	2.8516	2.3286		2.1551	3.8331	2.1405	3.2695	2.5867	1.1017	3.2474	1.0915
H9	3.3663	2.1784	2.4749	2.5480	1.0937	3.4585	3.8331	2.1551		4.3150	1.7669	3.8000	4.0351	2.4762	4.8662	2.5192
H10	3.3663	2.1784	2.4749	2.5480	3.4585	1.0937	2.1551	3.8331	4.3150		3.8000	1.7669	2.4762	4.0351	2.5192	4.8662
H11	2.6961	2.1608	3.0592	2.4892	1.0940	2.7822	3.2695	2.1405	1.7669	3.8000		2.6230	3.9365	3.0538	4.0781	2.4686
H12	2.6961	2.1608	3.0592	2.4892	2.7822	1.0940	2.1405	3.2695	3.8000	1.7669	2.6230		3.0538	3.9365	2.4686	4.0781
H13	2.0685	2.7641	2.5925	3.7778	3.2451	2.1591	1.1017	2.5867	4.0351	2.4762	3.9365	3.0538		2.3523	1.7754	3.5498
H14	2.0685	2.7641	2.5925	3.7778	2.1591	3.2451	2.5867	1.1017	2.4762	4.0351	3.0538	3.9365	2.3523		3.5498	1.7754
H15	2.0130	3.4577	3.7848	4.3111	3.8408	2.1748	1.0915	3.2474	4.8662	2.5192	4.0781	2.4686	1.7754	3.5498		4.0171
H16	2.0130	3.4577	3.7848	4.3111	2.1748	3.8408	3.2474	1.0915	2.5192	4.8662	2.4686	4.0781	3.5498	1.7754	4.0171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.606	O1	C7	H13	109.888
O1	C7	H15	106.092	O1	C8	C5	111.606
O1	C8	H14	109.888	O1	C8	H16	106.092
C2	C5	C8	109.583	C2	C5	H9	111.267
C2	C5	H11	109.857	C2	C6	C7	109.583
C2	C6	H10	111.267	C2	C6	H12	109.857
H3	C2	H4	106.976	H3	C2	C5	109.188
H3	C2	C6	109.188	H4	C2	C5	111.019
H4	C2	C6	111.019	C5	C2	C6	109.392
C5	C8	H14	109.603	C5	C8	H16	111.452
C6	C7	H13	109.603	C6	C7	H15	111.452
C7	O1	C8	110.661	C7	C6	H10	109.748
C7	C6	H12	108.594	C8	C5	H9	109.748
C8	C5	H11	108.594	H9	C5	H11	107.735
H10	C6	H12	107.735	H13	C7	H15	108.091
H14	C8	H16	108.091

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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