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	hartrees
Energy at 0K	-271.016469
Energy at 298.15K	-271.029483
HF Energy	-270.036891
Nuclear repulsion energy	260.427622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	2983	32.01
2	A'	3183	2965	63.17
3	A'	3171	2954	35.09
4	A'	3126	2912	14.40
5	A'	3111	2898	31.03
6	A'	3070	2860	93.25
7	A'	1567	1460	2.76
8	A'	1549	1443	5.01
9	A'	1538	1433	5.83
10	A'	1468	1368	12.16
11	A'	1432	1334	0.56
12	A'	1364	1271	4.36
13	A'	1319	1228	5.02
14	A'	1217	1134	3.36
15	A'	1085	1011	9.20
16	A'	1055	983	10.20
17	A'	919	856	20.73
18	A'	890	829	5.17
19	A'	854	796	2.74
20	A'	577	538	4.38
21	A'	442	412	1.64
22	A'	412	384	5.28
23	A'	256	239	5.00
24	A"	3200	2981	45.46
25	A"	3177	2959	31.98
26	A"	3125	2911	35.50
27	A"	3066	2856	20.81
28	A"	1554	1448	0.36
29	A"	1530	1425	2.35
30	A"	1440	1342	9.14
31	A"	1429	1332	0.95
32	A"	1396	1300	0.34
33	A"	1336	1244	8.32
34	A"	1271	1184	46.22
35	A"	1223	1139	0.55
36	A"	1178	1098	59.44
37	A"	1097	1022	12.46
38	A"	1010	941	2.39
39	A"	918	855	1.21
40	A"	845	787	0.68
41	A"	468	436	0.01
42	A"	247	230	0.43

Atom	x (Å)	y (Å)	z (Å)
O1	-0.661	-1.258	0.000
C2	0.628	1.320	0.000
H3	1.695	1.082	0.000
H4	0.544	2.407	0.000
C5	-0.021	0.729	1.254
C6	-0.021	0.729	-1.254
C7	-0.021	-0.795	-1.176
C8	-0.021	-0.795	1.176
H9	0.504	1.052	2.154
H10	0.504	1.052	-2.154
H11	-1.054	1.073	1.332
H12	-1.054	1.073	-1.332
H13	1.012	-1.168	-1.210
H14	1.012	-1.168	1.210
H15	-0.565	-1.234	-2.010
H16	-0.565	-1.234	2.010

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8823	3.3209	3.8576	2.4347	2.4347	1.4167	1.4167	3.3661	3.3661	2.7133	2.7133	2.0664	2.0664	2.0120	2.0120
C2	2.8823		1.0935	1.0897	1.5310	1.5310	2.5057	2.5057	2.1741	2.1741	2.1600	2.1600	2.7929	2.7929	3.4617	3.4617
H3	3.3209	1.0935		1.7548	2.1550	2.1550	2.8024	2.8024	2.4615	2.4615	3.0552	3.0552	2.6444	2.6444	3.8092	3.8092
H4	3.8576	1.0897	1.7548		2.1699	2.1699	3.4574	3.4574	2.5451	2.5451	2.4715	2.4715	3.8024	3.8024	4.3036	4.3036
C5	2.4347	1.5310	2.1550	2.1699		2.5081	2.8683	1.5256	1.0909	3.4633	1.0915	2.8063	3.2760	2.1599	3.8467	2.1719
C6	2.4347	1.5310	2.1550	2.1699	2.5081		1.5256	2.8683	3.4633	1.0909	2.8063	1.0915	2.1599	3.2760	2.1719	3.8467
C7	1.4167	2.5057	2.8024	3.4574	2.8683	1.5256		2.3521	3.8438	2.1546	3.2938	2.1403	1.0985	2.6262	1.0875	3.2613
C8	1.4167	2.5057	2.8024	3.4574	1.5256	2.8683	2.3521		2.1546	3.8438	2.1403	3.2938	2.6262	1.0985	3.2613	1.0875
H9	3.3661	2.1741	2.4615	2.5451	1.0909	3.4633	3.8438	2.1546		4.3078	1.7615	3.8188	4.0615	2.4647	4.8683	2.5271
H10	3.3661	2.1741	2.4615	2.5451	3.4633	1.0909	2.1546	3.8438	4.3078		3.8188	1.7615	2.4647	4.0615	2.5271	4.8683
H11	2.7133	2.1600	3.0552	2.4715	1.0915	2.8063	3.2938	2.1403	1.7615	3.8188		2.6650	3.9686	3.0501	4.0902	2.4534
H12	2.7133	2.1600	3.0552	2.4715	2.8063	1.0915	2.1403	3.2938	3.8188	1.7615	2.6650		3.0501	3.9686	2.4534	4.0902
H13	2.0664	2.7929	2.6444	3.8024	3.2760	2.1599	1.0985	2.6262	4.0615	2.4647	3.9686	3.0501		2.4192	1.7690	3.5850
H14	2.0664	2.7929	2.6444	3.8024	2.1599	3.2760	2.6262	1.0985	2.4647	4.0615	3.0501	3.9686	2.4192		3.5850	1.7690
H15	2.0120	3.4617	3.8092	4.3036	3.8467	2.1719	1.0875	3.2613	4.8683	2.5271	4.0902	2.4534	1.7690	3.5850		4.0192
H16	2.0120	3.4617	3.8092	4.3036	2.1719	3.8467	3.2613	1.0875	2.5271	4.8683	2.4534	4.0902	3.5850	1.7690	4.0192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.626	O1	C7	H13	109.839
O1	C7	H15	106.179	O1	C8	C5	111.626
O1	C8	H14	109.839	O1	C8	H16	106.179
C2	C5	C8	110.121	C2	C5	H9	110.918
C2	C5	H11	109.764	C2	C6	C7	110.121
C2	C6	H10	110.918	C2	C6	H12	109.764
H3	C2	H4	106.982	H3	C2	C5	109.255
H3	C2	C6	109.255	H4	C2	C5	110.648
H4	C2	C6	110.648	C5	C2	C6	109.986
C5	C8	H14	109.715	C5	C8	H16	111.326
C6	C7	H13	109.715	C6	C7	H15	111.326
C7	O1	C8	112.230	C7	C6	H10	109.743
C7	C6	H12	108.594	C8	C5	H9	109.743
C8	C5	H11	108.594	H9	C5	H11	107.636
H10	C6	H12	107.636	H13	C7	H15	108.041
H14	C8	H16	108.041

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C5H10O (2H-Pyran, tetrahydro-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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