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	hartrees
Energy at 0K	-270.071226
Energy at 298.15K	-270.084470
Nuclear repulsion energy	261.569346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	2948	55.48
2	A'	3223	2915	141.72
3	A'	3211	2904	73.12
4	A'	3177	2873	12.32
5	A'	3161	2859	41.37
6	A'	3140	2840	114.20
7	A'	1657	1499	2.30
8	A'	1634	1478	4.94
9	A'	1619	1464	4.98
10	A'	1568	1418	14.91
11	A'	1517	1372	0.60
12	A'	1455	1315	6.94
13	A'	1398	1264	6.19
14	A'	1292	1168	4.39
15	A'	1142	1033	9.96
16	A'	1099	994	16.62
17	A'	964	871	24.35
18	A'	937	847	4.77
19	A'	879	795	1.65
20	A'	612	554	4.97
21	A'	465	421	1.98
22	A'	424	384	5.93
23	A'	264	239	5.25
24	A"	3256	2945	87.63
25	A"	3213	2905	57.66
26	A"	3176	2873	47.29
27	A"	3129	2830	17.30
28	A"	1641	1485	0.16
29	A"	1611	1457	2.01
30	A"	1531	1384	14.13
31	A"	1516	1371	0.40
32	A"	1480	1339	0.01
33	A"	1419	1283	16.38
34	A"	1355	1226	66.74
35	A"	1301	1177	0.20
36	A"	1244	1125	92.89
37	A"	1134	1025	6.02
38	A"	1066	964	3.41
39	A"	944	854	1.38
40	A"	891	806	1.26
41	A"	498	451	0.00
42	A"	252	228	0.36

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.403	0.000
C2	0.057	-1.460	0.000
H3	-0.992	-1.754	0.000
H4	0.636	-2.378	0.000
C5	0.351	-0.633	1.254
C6	0.351	-0.633	-1.254
C7	-0.345	0.719	-1.171
C8	-0.345	0.719	1.171
H9	0.031	-1.159	2.150
H10	0.031	-1.159	-2.150
H11	1.423	-0.470	1.343
H12	1.423	-0.470	-1.343
H13	-1.427	0.587	-1.214
H14	-1.427	0.587	1.214
H15	-0.059	1.360	-1.995
H16	-0.059	1.360	1.995

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8634	3.3094	3.8340	2.4172	2.4172	1.3995	1.3995	3.3443	3.3443	2.7086	2.7086	2.0439	2.0439	1.9963	1.9963
C2	2.8634		1.0890	1.0856	1.5305	1.5305	2.5064	2.5064	2.1710	2.1710	2.1559	2.1559	2.8051	2.8051	3.4560	3.4560
H3	3.3094	1.0890		1.7432	2.1525	2.1525	2.8124	2.8124	2.4542	2.4542	3.0465	3.0465	2.6736	2.6736	3.8142	3.8142
H4	3.8340	1.0856	1.7432		2.1671	2.1671	3.4535	3.4535	2.5445	2.5445	2.4617	2.4617	3.8113	3.8113	4.2934	4.2934
C5	2.4172	1.5305	2.1525	2.1671		2.5079	2.8631	1.5236	1.0867	3.4589	1.0871	2.8137	3.2784	2.1579	3.8337	2.1658
C6	2.4172	1.5305	2.1525	2.1671	2.5079		1.5236	2.8631	3.4589	1.0867	2.8137	1.0871	2.1579	3.2784	2.1658	3.8337
C7	1.3995	2.5064	2.8124	3.4535	2.8631	1.5236		2.3429	3.8339	2.1505	3.2955	2.1374	1.0916	2.6234	1.0818	3.2432
C8	1.3995	2.5064	2.8124	3.4535	1.5236	2.8631	2.3429		2.1505	3.8339	2.1374	3.2955	2.6234	1.0916	3.2432	1.0818
H9	3.3443	2.1710	2.4542	2.5445	1.0867	3.4589	3.8339	2.1505		4.2997	1.7497	3.8221	4.0613	2.4598	4.8507	2.5248
H10	3.3443	2.1710	2.4542	2.5445	3.4589	1.0867	2.1505	3.8339	4.2997		3.8221	1.7497	2.4598	4.0613	2.5248	4.8507
H11	2.7086	2.1559	3.0465	2.4617	1.0871	2.8137	3.2955	2.1374	1.7497	3.8221		2.6855	3.9726	3.0428	4.0847	2.4433
H12	2.7086	2.1559	3.0465	2.4617	2.8137	1.0871	2.1374	3.2955	3.8221	1.7497	2.6855		3.0428	3.9726	2.4433	4.0847
H13	2.0439	2.8051	2.6736	3.8113	3.2784	2.1579	1.0916	2.6234	4.0613	2.4598	3.9726	3.0428		2.4289	1.7547	3.5735
H14	2.0439	2.8051	2.6736	3.8113	2.1579	3.2784	2.6234	1.0916	2.4598	4.0613	3.0428	3.9726	2.4289		3.5735	1.7547
H15	1.9963	3.4560	3.8142	4.2934	3.8337	2.1658	1.0818	3.2432	4.8507	2.5248	4.0847	2.4433	1.7547	3.5735		3.9899
H16	1.9963	3.4560	3.8142	4.2934	2.1658	3.8337	3.2432	1.0818	2.5248	4.8507	2.4433	4.0847	3.5735	1.7547	3.9899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.502	O1	C7	H13	109.653
O1	C7	H15	106.429	O1	C8	C5	111.502
O1	C8	H14	109.653	O1	C8	H16	106.429
C2	C5	C8	110.303	C2	C5	H9	110.959
C2	C5	H11	109.739	C2	C6	C7	110.303
C2	C6	H10	110.959	C2	C6	H12	109.739
H3	C2	H4	106.572	H3	C2	C5	109.361
H3	C2	C6	109.361	H4	C2	C5	110.719
H4	C2	C6	110.719	C5	C2	C6	110.035
C5	C8	H14	110.111	C5	C8	H16	111.327
C6	C7	H13	110.111	C6	C7	H15	111.327
C7	O1	C8	113.661	C7	C6	H10	109.813
C7	C6	H12	108.756	C8	C5	H9	109.813
C8	C5	H11	108.756	H9	C5	H11	107.194
H10	C6	H12	107.194	H13	C7	H15	107.682
H14	C8	H16	107.682

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	O	-0.455	-0.511	-0.474
2	C	-0.438	0.107	0.089
3	H	0.201	-0.016	-0.001
4	H	0.215	-0.026	-0.021
5	C	-0.418	-0.061	-0.076
6	C	-0.418	-0.061	-0.076
7	C	-0.154	0.263	0.186
8	C	-0.154	0.263	0.186
9	H	0.208	-0.012	-0.000
10	H	0.208	-0.012	-0.000
11	H	0.210	0.031	0.045
12	H	0.210	0.031	0.045
13	H	0.182	-0.012	0.012
14	H	0.182	-0.012	0.012
15	H	0.210	0.014	0.037
16	H	0.210	0.014	0.037

	x	y	z	Total
	-0.453	-1.491	0.000	1.559
CHELPG
AIM
ESP	-0.478	-1.475	0.000	1.551

	x	y	z
x	7.444	-0.163	0.000
y	-0.163	7.734	0.000
z	0.000	0.000	8.634

<r²>	151.514
(<r²>)^1/2	12.309

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

using model chemistry: HF/6-311G*

States and conformations

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