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	hartrees
Energy at 0K	-270.110276
Energy at 298.15K	-270.123525
Nuclear repulsion energy	261.886759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	2930	40.37
2	A'	3197	2905	109.98
3	A'	3186	2895	64.54
4	A'	3152	2864	14.75
5	A'	3136	2849	30.46
6	A'	3108	2824	98.51
7	A'	1644	1494	2.70
8	A'	1621	1473	5.51
9	A'	1607	1460	4.61
10	A'	1555	1413	12.07
11	A'	1507	1369	0.68
12	A'	1443	1311	7.57
13	A'	1385	1259	5.55
14	A'	1286	1168	3.63
15	A'	1139	1035	9.70
16	A'	1096	996	15.84
17	A'	959	872	22.75
18	A'	932	847	4.03
19	A'	877	797	1.32
20	A'	611	555	5.15
21	A'	466	423	1.93
22	A'	422	383	5.02
23	A'	262	238	4.67
24	A"	3221	2927	79.96
25	A"	3188	2897	53.31
26	A"	3152	2864	34.52
27	A"	3098	2815	18.71
28	A"	1629	1480	0.33
29	A"	1600	1454	2.24
30	A"	1520	1381	8.14
31	A"	1503	1365	0.66
32	A"	1472	1338	0.30
33	A"	1407	1279	16.70
34	A"	1347	1224	70.16
35	A"	1292	1174	0.76
36	A"	1235	1122	84.73
37	A"	1131	1028	5.56
38	A"	1058	961	2.72
39	A"	941	855	1.35
40	A"	887	806	1.32
41	A"	499	453	0.00
42	A"	253	230	0.35

Atom	x (Å)	y (Å)	z (Å)
O1	-0.637	-1.248	0.000
C2	0.618	1.321	0.000
H3	1.683	1.098	0.000
H4	0.526	2.402	0.000
C5	-0.024	0.724	1.252
C6	-0.024	0.724	-1.252
C7	-0.024	-0.796	-1.171
C8	-0.024	-0.796	1.171
H9	0.501	1.041	2.147
H10	0.501	1.041	-2.147
H11	-1.050	1.070	1.338
H12	-1.050	1.070	-1.338
H13	0.999	-1.171	-1.217
H14	0.999	-1.171	1.217
H15	-0.571	-1.231	-1.996
H16	-0.571	-1.231	1.996

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8602	3.3000	3.8310	2.4153	2.4153	1.3968	1.3968	3.3389	3.3389	2.7086	2.7086	2.0409	2.0409	1.9970	1.9970
C2	2.8602		1.0877	1.0843	1.5285	1.5285	2.5033	2.5033	2.1683	2.1683	2.1532	2.1532	2.7994	2.7994	3.4516	3.4516
H3	3.3000	1.0877		1.7431	2.1496	2.1496	2.8058	2.8058	2.4515	2.4515	3.0429	3.0429	2.6638	2.6638	3.8064	3.8064
H4	3.8310	1.0843	1.7431		2.1642	2.1642	3.4494	3.4494	2.5417	2.5417	2.4589	2.4589	3.8036	3.8036	4.2877	4.2877
C5	2.4153	1.5285	2.1496	2.1642		2.5033	2.8598	1.5223	1.0853	3.4535	1.0859	2.8068	3.2759	2.1540	3.8299	2.1624
C6	2.4153	1.5285	2.1496	2.1642	2.5033		1.5223	2.8598	3.4535	1.0853	2.8068	1.0859	2.1540	3.2759	2.1624	3.8299
C7	1.3968	2.5033	2.8058	3.4494	2.8598	1.5223		2.3413	3.8286	2.1459	3.2906	2.1361	1.0910	2.6244	1.0813	3.2427
C8	1.3968	2.5033	2.8058	3.4494	1.5223	2.8598	2.3413		2.1459	3.8286	2.1361	3.2906	2.6244	1.0910	3.2427	1.0813
H9	3.3389	2.1683	2.4515	2.5417	1.0853	3.4535	3.8286	2.1459		4.2938	1.7494	3.8145	4.0567	2.4511	4.8452	2.5172
H10	3.3389	2.1683	2.4515	2.5417	3.4535	1.0853	2.1459	3.8286	4.2938		3.8145	1.7494	2.4511	4.0567	2.5172	4.8452
H11	2.7086	2.1532	3.0429	2.4589	1.0859	2.8068	3.2906	2.1361	1.7494	3.8145		2.6759	3.9684	3.0392	4.0792	2.4410
H12	2.7086	2.1532	3.0429	2.4589	2.8068	1.0859	2.1361	3.2906	3.8145	1.7494	2.6759		3.0392	3.9684	2.4410	4.0792
H13	2.0409	2.7994	2.6638	3.8036	3.2759	2.1540	1.0910	2.6244	4.0567	2.4511	3.9684	3.0392		2.4334	1.7541	3.5763
H14	2.0409	2.7994	2.6638	3.8036	2.1540	3.2759	2.6244	1.0910	2.4511	4.0567	3.0392	3.9684	2.4334		3.5763	1.7541
H15	1.9970	3.4516	3.8064	4.2877	3.8299	2.1624	1.0813	3.2427	4.8452	2.5172	4.0792	2.4410	1.7541	3.5763		3.9916
H16	1.9970	3.4516	3.8064	4.2877	2.1624	3.8299	3.2427	1.0813	2.5172	4.8452	2.4410	4.0792	3.5763	1.7541	3.9916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.596	O1	C7	H13	109.628
O1	C7	H15	106.692	O1	C8	C5	111.596
O1	C8	H14	109.628	O1	C8	H16	106.692
C2	C5	C8	110.280	C2	C5	H9	110.967
C2	C5	H11	109.731	C2	C6	C7	110.280
C2	C6	H10	110.967	C2	C6	H12	109.731
H3	C2	H4	106.743	H3	C2	C5	109.343
H3	C2	C6	109.343	H4	C2	C5	110.699
H4	C2	C6	110.699	C5	C2	C6	109.946
C5	C8	H14	109.929	C5	C8	H16	111.175
C6	C7	H13	109.929	C6	C7	H15	111.175
C7	O1	C8	113.876	C7	C6	H10	109.625
C7	C6	H12	108.812	C8	C5	H9	109.625
C8	C5	H11	108.812	H9	C5	H11	107.355
H10	C6	H12	107.355	H13	C7	H15	107.695
H14	C8	H16	107.695

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.907
2	C	-0.209
3	H	0.145
4	H	0.107
5	C	-0.053
6	C	-0.053
7	C	0.004
8	C	0.004
9	H	0.107
10	H	0.107
11	H	0.140
12	H	0.140
13	H	0.124
14	H	0.124
15	H	0.110
16	H	0.110

	x	y	z	Total
	1.073	1.126	0.000	1.556
CHELPG
AIM
ESP

	x	y	z
x	7.914	0.142	0.000
y	0.142	8.645	0.000
z	0.000	0.000	9.363

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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