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	hartrees
Energy at 0K	-270.896937
Energy at 298.15K	-270.909933
HF Energy	-270.015966
Nuclear repulsion energy	259.839814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	2972	40.98
2	A'	3126	2959	51.38
3	A'	3114	2947	30.55
4	A'	3074	2909	10.33
5	A'	3059	2895	24.82
6	A'	3019	2857	82.37
7	A'	1568	1484	3.73
8	A'	1551	1468	4.49
9	A'	1541	1459	6.33
10	A'	1466	1388	9.39
11	A'	1430	1353	0.66
12	A'	1360	1288	3.20
13	A'	1321	1250	5.20
14	A'	1221	1155	3.40
15	A'	1087	1029	7.56
16	A'	1053	997	9.98
17	A'	921	872	18.38
18	A'	890	843	5.45
19	A'	855	810	2.19
20	A'	580	549	4.30
21	A'	445	421	1.50
22	A'	416	393	5.94
23	A'	259	245	4.40
24	A"	3137	2969	40.04
25	A"	3120	2953	29.98
26	A"	3073	2909	30.60
27	A"	3013	2852	16.00
28	A"	1552	1469	0.26
29	A"	1532	1450	2.39
30	A"	1435	1359	10.02
31	A"	1430	1354	2.01
32	A"	1392	1317	1.11
33	A"	1333	1262	8.12
34	A"	1272	1204	44.66
35	A"	1224	1159	1.08
36	A"	1181	1117	58.61
37	A"	1098	1039	11.41
38	A"	1013	958	2.94
39	A"	918	869	1.09
40	A"	846	801	0.45
41	A"	469	444	0.01
42	A"	248	235	0.55

Atom	x (Å)	y (Å)	z (Å)
O1	-0.674	-1.256	0.000
C2	0.631	1.323	0.000
H3	1.704	1.080	0.000
H4	0.554	2.418	0.000
C5	-0.019	0.729	1.256
C6	-0.019	0.729	-1.256
C7	-0.019	-0.796	-1.178
C8	-0.019	-0.796	1.178
H9	0.504	1.057	2.165
H10	0.504	1.057	-2.165
H11	-1.059	1.074	1.333
H12	-1.059	1.074	-1.333
H13	1.018	-1.176	-1.198
H14	1.018	-1.176	1.198
H15	-0.560	-1.244	-2.019
H16	-0.560	-1.244	2.019

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8899	3.3342	3.8736	2.4387	2.4387	1.4244	1.4244	3.3801	3.3801	2.7115	2.7115	2.0750	2.0750	2.0226	2.0226
C2	2.8899		1.1009	1.0979	1.5335	1.5335	2.5096	2.5096	2.1854	2.1854	2.1665	2.1665	2.7980	2.7980	3.4755	3.4755
H3	3.3342	1.1009		1.7642	2.1613	2.1613	2.8070	2.8070	2.4761	2.4761	3.0684	3.0684	2.6454	2.6454	3.8217	3.8217
H4	3.8736	1.0979	1.7642		2.1812	2.1812	3.4705	3.4705	2.5582	2.5582	2.4870	2.4870	3.8167	3.8167	4.3270	4.3270
C5	2.4387	1.5335	2.1613	2.1812		2.5119	2.8724	1.5270	1.0990	3.4766	1.0987	2.8112	3.2753	2.1699	3.8615	2.1832
C6	2.4387	1.5335	2.1613	2.1812	2.5119		1.5270	2.8724	3.4766	1.0990	2.8112	1.0987	2.1699	3.2753	2.1832	3.8615
C7	1.4244	2.5096	2.8070	3.4705	2.8724	1.5270		2.3563	3.8581	2.1634	3.2989	2.1452	1.1049	2.6204	1.0956	3.2736
C8	1.4244	2.5096	2.8070	3.4705	1.5270	2.8724	2.3563		2.1634	3.8581	2.1452	3.2989	2.6204	1.1049	3.2736	1.0956
H9	3.3801	2.1854	2.4761	2.5582	1.0990	3.4766	3.8581	2.1634		4.3309	1.7713	3.8317	4.0697	2.4871	4.8923	2.5384
H10	3.3801	2.1854	2.4761	2.5582	3.4766	1.0990	2.1634	3.8581	4.3309		3.8317	1.7713	2.4871	4.0697	2.5384	4.8923
H11	2.7115	2.1665	3.0684	2.4870	1.0987	2.8112	3.2989	2.1452	1.7713	3.8317		2.6655	3.9727	3.0653	4.1055	2.4678
H12	2.7115	2.1665	3.0684	2.4870	2.8112	1.0987	2.1452	3.2989	3.8317	1.7713	2.6655		3.0653	3.9727	2.4678	4.1055
H13	2.0750	2.7980	2.6454	3.8167	3.2753	2.1699	1.1049	2.6204	4.0697	2.4871	3.9727	3.0653		2.3960	1.7803	3.5841
H14	2.0750	2.7980	2.6454	3.8167	2.1699	3.2753	2.6204	1.1049	2.4871	4.0697	3.0653	3.9727	2.3960		3.5841	1.7803
H15	2.0226	3.4755	3.8217	4.3270	3.8615	2.1832	1.0956	3.2736	4.8923	2.5384	4.1055	2.4678	1.7803	3.5841		4.0386
H16	2.0226	3.4755	3.8217	4.3270	2.1832	3.8615	3.2736	1.0956	2.5384	4.8923	2.4678	4.1055	3.5841	1.7803	4.0386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.392	O1	C7	H13	109.606
O1	C7	H15	106.025	O1	C8	C5	111.392
O1	C8	H14	109.606	O1	C8	H16	106.025
C2	C5	C8	110.170	C2	C5	H9	111.154
C2	C5	H11	109.688	C2	C6	C7	110.170
C2	C6	H10	111.154	C2	C6	H12	109.688
H3	C2	H4	106.710	H3	C2	C5	109.151
H3	C2	C6	109.151	H4	C2	C5	110.886
H4	C2	C6	110.886	C5	C2	C6	109.975
C5	C8	H14	110.039	C5	C8	H16	111.644
C6	C7	H13	110.039	C6	C7	H15	111.644
C7	O1	C8	111.609	C7	C6	H10	109.870
C7	C6	H12	108.471	C8	C5	H9	109.870
C8	C5	H11	108.471	H9	C5	H11	107.409
H10	C6	H12	107.409	H13	C7	H15	108.001
H14	C8	H16	108.001

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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