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	hartrees
Energy at 0K	-270.107192
Energy at 298.15K	-270.120447
HF Energy	-270.107192
Nuclear repulsion energy	261.655451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	2946	43.43
2	A'	3212	2918	113.98
3	A'	3200	2908	62.41
4	A'	3166	2876	12.96
5	A'	3149	2861	34.69
6	A'	3123	2837	101.50
7	A'	1646	1496	2.49
8	A'	1624	1476	5.97
9	A'	1608	1461	4.64
10	A'	1560	1417	14.25
11	A'	1511	1373	0.53
12	A'	1447	1315	6.25
13	A'	1390	1263	5.88
14	A'	1288	1170	4.12
15	A'	1140	1036	10.05
16	A'	1096	996	15.97
17	A'	959	871	24.29
18	A'	936	850	4.40
19	A'	877	797	1.61
20	A'	612	556	5.09
21	A'	466	424	1.87
22	A'	422	383	5.51
23	A'	263	239	5.44
24	A"	3238	2942	77.59
25	A"	3203	2910	50.78
26	A"	3165	2876	38.67
27	A"	3112	2828	17.38
28	A"	1630	1481	0.11
29	A"	1602	1455	2.43
30	A"	1525	1385	11.80
31	A"	1509	1371	0.49
32	A"	1474	1340	0.00
33	A"	1411	1282	14.49
34	A"	1347	1224	65.13
35	A"	1296	1178	0.46
36	A"	1235	1122	90.50
37	A"	1132	1029	5.70
38	A"	1063	966	2.81
39	A"	941	855	1.66
40	A"	889	808	1.24
41	A"	498	452	0.00
42	A"	254	231	0.38

Atom	x (Å)	y (Å)	z (Å)
O1	-0.666	-1.246	0.000
C2	0.652	1.308	0.000
H3	1.698	1.010	0.000
H4	0.619	2.393	0.000
C5	-0.026	0.732	1.245
C6	-0.026	0.732	-1.245
C7	-0.026	-0.794	-1.170
C8	-0.026	-0.794	1.170
H9	0.471	1.055	2.155
H10	0.471	1.055	-2.155
H11	-1.057	1.070	1.283
H12	-1.057	1.070	-1.283
H13	0.998	-1.164	-1.185
H14	0.998	-1.164	1.185
H15	-0.556	-1.226	-2.010
H16	-0.556	-1.226	2.010

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8742	3.2674	3.8595	2.4231	2.4231	1.4080	1.4080	3.3512	3.3512	2.6765	2.6765	2.0436	2.0436	2.0134	2.0134
C2	2.8742		1.0871	1.0858	1.5305	1.5305	2.4996	2.4996	2.1777	2.1777	2.1506	2.1506	2.7630	2.7630	3.4527	3.4527
H3	3.2674	1.0871		1.7544	2.1444	2.1444	2.7558	2.7558	2.4805	2.4805	3.0397	3.0397	2.5730	2.5730	3.7574	3.7574
H4	3.8595	1.0858	1.7544		2.1742	2.1742	3.4561	3.4561	2.5414	2.5414	2.4912	2.4912	3.7686	3.7686	4.3034	4.3034
C5	2.4231	1.5305	2.1444	2.1742		2.4901	2.8566	1.5276	1.0860	3.4515	1.0863	2.7511	3.2472	2.1553	3.8353	2.1675
C6	2.4231	1.5305	2.1444	2.1742	2.4901		1.5276	2.8566	3.4515	1.0860	2.7511	1.0863	2.1553	3.2472	2.1675	3.8353
C7	1.4080	2.4996	2.7558	3.4561	2.8566	1.5276		2.3400	3.8370	2.1531	3.2489	2.1336	1.0883	2.5938	1.0831	3.2529
C8	1.4080	2.4996	2.7558	3.4561	1.5276	2.8566	2.3400		2.1531	3.8370	2.1336	3.2489	2.5938	1.0883	3.2529	1.0831
H9	3.3512	2.1777	2.4805	2.5414	1.0860	3.4515	3.8370	2.1531		4.3105	1.7596	3.7623	4.0442	2.4787	4.8586	2.5051
H10	3.3512	2.1777	2.4805	2.5414	3.4515	1.0860	2.1531	3.8370	4.3105		3.7623	1.7596	2.4787	4.0442	2.5051	4.8586
H11	2.6765	2.1506	3.0397	2.4912	1.0863	2.7511	3.2489	2.1336	1.7596	3.7623		2.5655	3.9118	3.0372	4.0457	2.4602
H12	2.6765	2.1506	3.0397	2.4912	2.7511	1.0863	2.1336	3.2489	3.7623	1.7596	2.5655		3.0372	3.9118	2.4602	4.0457
H13	2.0436	2.7630	2.5730	3.7686	3.2472	2.1553	1.0883	2.5938	4.0442	2.4787	3.9118	3.0372		2.3690	1.7601	3.5529
H14	2.0436	2.7630	2.5730	3.7686	2.1553	3.2472	2.5938	1.0883	2.4787	4.0442	3.0372	3.9118	2.3690		3.5529	1.7601
H15	2.0134	3.4527	3.7574	4.3034	3.8353	2.1675	1.0831	3.2529	4.8586	2.5051	4.0457	2.4602	1.7601	3.5529		4.0206
H16	2.0134	3.4527	3.7574	4.3034	2.1675	3.8353	3.2529	1.0831	2.5051	4.8586	2.4602	4.0457	3.5529	1.7601	4.0206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.188	O1	C7	H13	109.224
O1	C7	H15	107.124	O1	C8	C5	111.188
O1	C8	H14	109.224	O1	C8	H16	107.124
C2	C5	C8	109.646	C2	C5	H9	111.545
C2	C5	H11	109.372	C2	C6	C7	109.646
C2	C6	H10	111.545	C2	C6	H12	109.372
H3	C2	H4	107.681	H3	C2	C5	108.836
H3	C2	C6	108.836	H4	C2	C5	111.271
H4	C2	C6	111.271	C5	C2	C6	108.881
C5	C8	H14	109.812	C5	C8	H16	111.100
C6	C7	H13	109.812	C6	C7	H15	111.100
C7	O1	C8	112.389	C7	C6	H10	109.776
C7	C6	H12	108.235	C8	C5	H9	109.776
C8	C5	H11	108.235	H9	C5	H11	108.196
H10	C6	H12	108.196	H13	C7	H15	108.303
H14	C8	H16	108.303

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

using model chemistry: HF/TZVP

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	-0.326
2	C	-0.147
3	H	0.068
4	H	0.092
5	C	-0.133
6	C	-0.133
7	C	-0.015
8	C	-0.015
9	H	0.085
10	H	0.085
11	H	0.070
12	H	0.070
13	H	0.054
14	H	0.054
15	H	0.096
16	H	0.096

	x	y	z	Total
	1.153	1.202	0.000	1.666
CHELPG
AIM
ESP

	x	y	z
x	7.680	0.061	0.000
y	0.061	8.216	0.000
z	0.000	0.000	8.987

<r²>	151.337
(<r²>)^1/2	12.302

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

using model chemistry: HF/TZVP

States and conformations

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