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	hartrees
Energy at 0K	-270.889487
Energy at 298.15K	-270.902496
HF Energy	-270.016342
Nuclear repulsion energy	260.030555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	2970	38.99
2	A'	3151	2957	51.14
3	A'	3139	2946	30.78
4	A'	3098	2908	10.50
5	A'	3083	2894	24.00
6	A'	3040	2853	83.69
7	A'	1575	1478	3.94
8	A'	1558	1462	4.76
9	A'	1548	1453	6.60
10	A'	1471	1381	9.48
11	A'	1433	1345	0.69
12	A'	1366	1283	3.43
13	A'	1325	1243	5.40
14	A'	1224	1149	3.46
15	A'	1090	1023	7.71
16	A'	1056	991	10.20
17	A'	925	868	18.48
18	A'	893	838	5.59
19	A'	859	806	2.08
20	A'	580	545	4.28
21	A'	446	419	1.47
22	A'	416	391	5.90
23	A'	259	243	4.37
24	A"	3162	2967	39.68
25	A"	3145	2952	29.77
26	A"	3098	2908	29.06
27	A"	3035	2849	15.05
28	A"	1559	1463	0.30
29	A"	1538	1444	2.51
30	A"	1439	1351	10.32
31	A"	1434	1346	1.59
32	A"	1395	1309	0.91
33	A"	1338	1256	8.10
34	A"	1275	1197	44.97
35	A"	1228	1153	0.78
36	A"	1183	1111	59.23
37	A"	1101	1033	11.36
38	A"	1015	953	2.95
39	A"	920	864	1.03
40	A"	848	796	0.44
41	A"	470	441	0.01
42	A"	249	233	0.55

Atom	x (Å)	y (Å)	z (Å)
O1	-0.676	-1.254	0.000
C2	0.632	1.320	0.000
H3	1.704	1.077	0.000
H4	0.555	2.413	0.000
C5	-0.019	0.729	1.255
C6	-0.019	0.729	-1.255
C7	-0.019	-0.796	-1.176
C8	-0.019	-0.796	1.176
H9	0.504	1.056	2.162
H10	0.504	1.056	-2.162
H11	-1.058	1.073	1.330
H12	-1.058	1.073	-1.330
H13	1.017	-1.175	-1.196
H14	1.017	-1.175	1.196
H15	-0.560	-1.241	-2.015
H16	-0.560	-1.241	2.015

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8871	3.3306	3.8679	2.4362	2.4362	1.4224	1.4224	3.3761	3.3761	2.7067	2.7067	2.0736	2.0736	2.0184	2.0184
C2	2.8871		1.0991	1.0957	1.5323	1.5323	2.5065	2.5065	2.1818	2.1818	2.1644	2.1644	2.7938	2.7938	3.4701	3.4701
H3	3.3306	1.0991		1.7624	2.1594	2.1594	2.8028	2.8028	2.4727	2.4727	3.0649	3.0649	2.6407	2.6407	3.8153	3.8153
H4	3.8679	1.0957	1.7624		2.1775	2.1775	3.4652	3.4652	2.5532	2.5532	2.4831	2.4831	3.8106	3.8106	4.3194	4.3194
C5	2.4362	1.5323	2.1594	2.1775		2.5092	2.8686	1.5262	1.0969	3.4716	1.0968	2.8065	3.2712	2.1681	3.8552	2.1796
C6	2.4362	1.5323	2.1594	2.1775	2.5092		1.5262	2.8686	3.4716	1.0969	2.8065	1.0968	2.1681	3.2712	2.1796	3.8552
C7	1.4224	2.5065	2.8028	3.4652	2.8686	1.5262		2.3513	3.8522	2.1618	3.2934	2.1431	1.1032	2.6152	1.0934	3.2667
C8	1.4224	2.5065	2.8028	3.4652	1.5262	2.8686	2.3513		2.1618	3.8522	2.1431	3.2934	2.6152	1.1032	3.2667	1.0934
H9	3.3761	2.1818	2.4727	2.5532	1.0969	3.4716	3.8522	2.1618		4.3237	1.7692	3.8248	4.0637	2.4849	4.8839	2.5354
H10	3.3761	2.1818	2.4727	2.5532	3.4716	1.0969	2.1618	3.8522	4.3237		3.8248	1.7692	2.4849	4.0637	2.5354	4.8839
H11	2.7067	2.1644	3.0649	2.4831	1.0968	2.8065	3.2934	2.1431	1.7692	3.8248		2.6596	3.9666	3.0617	4.0975	2.4640
H12	2.7067	2.1644	3.0649	2.4831	2.8065	1.0968	2.1431	3.2934	3.8248	1.7692	2.6596		3.0617	3.9666	2.4640	4.0975
H13	2.0736	2.7938	2.6407	3.8106	3.2712	2.1681	1.1032	2.6152	4.0637	2.4849	3.9666	3.0617		2.3911	1.7779	3.5773
H14	2.0736	2.7938	2.6407	3.8106	2.1681	3.2712	2.6152	1.1032	2.4849	4.0637	3.0617	3.9666	2.3911		3.5773	1.7779
H15	2.0184	3.4701	3.8153	4.3194	3.8552	2.1796	1.0934	3.2667	4.8839	2.5354	4.0975	2.4640	1.7779	3.5773		4.0301
H16	2.0184	3.4701	3.8153	4.3194	2.1796	3.8552	3.2667	1.0934	2.5354	4.8839	2.4640	4.0975	3.5773	1.7779	4.0301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.373	O1	C7	H13	109.723
O1	C7	H15	105.954	O1	C8	C5	111.373
O1	C8	H14	109.723	O1	C8	H16	105.954
C2	C5	C8	110.078	C2	C5	H9	111.081
C2	C5	H11	109.711	C2	C6	C7	110.078
C2	C6	H10	111.081	C2	C6	H12	109.711
H3	C2	H4	106.841	H3	C2	C5	109.188
H3	C2	C6	109.188	H4	C2	C5	110.811
H4	C2	C6	110.811	C5	C2	C6	109.928
C5	C8	H14	110.047	C5	C8	H16	111.546
C6	C7	H13	110.047	C6	C7	H15	111.546
C7	O1	C8	111.480	C7	C6	H10	109.922
C7	C6	H12	108.470	C8	C5	H9	109.922
C8	C5	H11	108.470	H9	C5	H11	107.507
H10	C6	H12	107.507	H13	C7	H15	108.068
H14	C8	H16	108.068

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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