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	hartrees
Energy at 0K	-48.828199
Energy at 298.15K	-48.841333
Nuclear repulsion energy	144.452903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	2998	80.61
2	A'	3280	2957	200.16
3	A'	3254	2934	77.88
4	A'	3221	2904	12.15
5	A'	3201	2886	168.11
6	A'	3195	2880	37.83
7	A'	1656	1493	5.97
8	A'	1638	1477	4.74
9	A'	1630	1469	7.64
10	A'	1544	1392	7.96
11	A'	1519	1369	1.43
12	A'	1417	1277	3.03
13	A'	1392	1254	5.38
14	A'	1288	1161	4.84
15	A'	1136	1024	8.55
16	A'	1107	998	11.39
17	A'	940	848	6.41
18	A'	928	837	27.65
19	A'	865	780	4.22
20	A'	603	543	7.29
21	A'	454	409	4.56
22	A'	398	359	6.34
23	A'	250	225	9.39
24	A"	3319	2992	79.08
25	A"	3269	2947	51.52
26	A"	3216	2899	119.49
27	A"	3194	2879	18.47
28	A"	1644	1482	0.25
29	A"	1621	1462	3.83
30	A"	1521	1371	7.36
31	A"	1513	1364	0.75
32	A"	1493	1346	5.28
33	A"	1401	1263	7.50
34	A"	1330	1199	50.34
35	A"	1288	1161	2.39
36	A"	1215	1095	66.30
37	A"	1159	1045	27.30
38	A"	1066	961	6.31
39	A"	951	857	1.86
40	A"	892	804	0.91
41	A"	491	442	0.05
42	A"	240	217	1.02

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.433	0.000
C2	0.043	-1.464	0.000
H3	-1.017	-1.734	0.000
H4	0.608	-2.395	0.000
C5	0.364	-0.639	1.270
C6	0.364	-0.639	-1.270
C7	-0.342	0.730	-1.215
C8	-0.342	0.730	1.215
H9	0.051	-1.175	2.167
H10	0.051	-1.175	-2.167
H11	1.440	-0.479	1.342
H12	1.440	-0.479	-1.342
H13	-1.427	0.604	-1.262
H14	-1.427	0.604	1.262
H15	-0.033	1.377	-2.027
H16	-0.033	1.377	2.027

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8973	3.3268	3.8763	2.4577	2.4577	1.4444	1.4444	3.3916	3.3916	2.7439	2.7439	2.0780	2.0780	2.0280	2.0280
C2	2.8973		1.0933	1.0895	1.5482	1.5482	2.5370	2.5370	2.1863	2.1863	2.1731	2.1731	2.8338	2.8338	3.4910	3.4910
H3	3.3268	1.0933		1.7537	2.1724	2.1724	2.8293	2.8293	2.4796	2.4796	3.0677	3.0677	2.6891	2.6891	3.8419	3.8419
H4	3.8763	1.0895	1.7537		2.1811	2.1811	3.4849	3.4849	2.5487	2.5487	2.4828	2.4828	3.8382	3.8382	4.3304	4.3304
C5	2.4577	1.5482	2.1724	2.1811		2.5406	2.9236	1.5413	1.0909	3.4931	1.0902	2.8294	3.3419	2.1804	3.8853	2.1901
C6	2.4577	1.5482	2.1724	2.1811	2.5406		1.5413	2.9236	3.4931	1.0909	2.8294	1.0902	2.1804	3.3419	2.1901	3.8853
C7	1.4444	2.5370	2.8293	3.4849	2.9236	1.5413		2.4292	3.9014	2.1660	3.3421	2.1568	1.0939	2.7073	1.0836	3.3200
C8	1.4444	2.5370	2.8293	3.4849	1.5413	2.9236	2.4292		2.1660	3.9014	2.1568	3.3421	2.7073	1.0939	3.3200	1.0836
H9	3.3916	2.1863	2.4796	2.5487	1.0909	3.4931	3.9014	2.1660		4.3344	1.7597	3.8375	4.1367	2.4838	4.9106	2.5579
H10	3.3916	2.1863	2.4796	2.5487	3.4931	1.0909	2.1660	3.9014	4.3344		3.8375	1.7597	2.4838	4.1367	2.5579	4.9106
H11	2.7439	2.1731	3.0677	2.4828	1.0902	2.8294	3.3421	2.1568	1.7597	3.8375		2.6831	4.0217	3.0659	4.1186	2.4669
H12	2.7439	2.1731	3.0677	2.4828	2.8294	1.0902	2.1568	3.3421	3.8375	1.7597	2.6831		3.0659	4.0217	2.4669	4.1186
H13	2.0780	2.8338	2.6891	3.8382	3.3419	2.1804	1.0939	2.7073	4.1367	2.4838	4.0217	3.0659		2.5246	1.7681	3.6553
H14	2.0780	2.8338	2.6891	3.8382	2.1804	3.3419	2.7073	1.0939	2.4838	4.1367	3.0659	4.0217	2.5246		3.6553	1.7681
H15	2.0280	3.4910	3.8419	4.3304	3.8853	2.1901	1.0836	3.3200	4.9106	2.5579	4.1186	2.4669	1.7681	3.6553		4.0540
H16	2.0280	3.4910	3.8419	4.3304	2.1901	3.8853	3.3200	1.0836	2.5579	4.9106	2.4669	4.1186	3.6553	1.7681	4.0540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.760	O1	C7	H13	109.117
O1	C7	H15	105.801	O1	C8	C5	110.760
O1	C8	H14	109.117	O1	C8	H16	105.801
C2	C5	C8	110.400	C2	C5	H9	110.682
C2	C5	H11	109.676	C2	C6	C7	110.400
C2	C6	H10	110.682	C2	C6	H12	109.676
H3	C2	H4	106.916	H3	C2	C5	109.447
H3	C2	C6	109.447	H4	C2	C5	110.350
H4	C2	C6	110.350	C5	C2	C6	110.265
C5	C8	H14	110.514	C5	C8	H16	111.914
C6	C7	H13	110.514	C6	C7	H15	111.914
C7	O1	C8	114.469	C7	C6	H10	109.563
C7	C6	H12	108.886	C8	C5	H9	109.563
C8	C5	H11	108.886	H9	C5	H11	107.570
H10	C6	H12	107.570	H13	C7	H15	108.584
H14	C8	H16	108.584

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	O	-0.429
2	C	-0.162
3	H	0.071
4	H	0.131
5	C	-0.138
6	C	-0.138
7	C	-0.118
8	C	-0.118
9	H	0.112
10	H	0.112
11	H	0.088
12	H	0.088
13	H	0.081
14	H	0.081
15	H	0.171
16	H	0.171

	x	y	z	Total
	-0.717	-2.171	0.000	2.287
CHELPG
AIM
ESP

	x	y	z
x	6.675	-0.168	0.000
y	-0.168	7.266	0.000
z	0.000	0.000	8.149

<r²>	129.871
(<r²>)^1/2	11.396

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

using model chemistry: HF/CEP-31G

States and conformations

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