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	hartrees
Energy at 0K	-270.085020
Energy at 298.15K	-270.098268
Nuclear repulsion energy	261.493931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	2945	49.19
2	A'	3208	2914	120.92
3	A'	3196	2903	63.63
4	A'	3161	2871	13.36
5	A'	3144	2857	37.48
6	A'	3121	2836	107.42
7	A'	1643	1492	2.37
8	A'	1620	1472	5.24
9	A'	1604	1458	4.89
10	A'	1557	1414	13.50
11	A'	1508	1370	0.64
12	A'	1444	1312	7.18
13	A'	1388	1261	5.67
14	A'	1284	1167	4.12
15	A'	1138	1034	9.81
16	A'	1097	996	16.57
17	A'	961	873	23.70
18	A'	933	847	4.50
19	A'	877	797	1.63
20	A'	610	554	5.05
21	A'	464	422	1.99
22	A'	423	384	5.75
23	A'	263	239	5.16
24	A"	3237	2941	78.09
25	A"	3198	2906	52.90
26	A"	3160	2871	40.43
27	A"	3111	2826	17.06
28	A"	1627	1478	0.18
29	A"	1598	1452	2.15
30	A"	1520	1381	12.64
31	A"	1507	1369	0.37
32	A"	1470	1335	0.00
33	A"	1409	1280	15.72
34	A"	1348	1225	70.11
35	A"	1292	1174	0.05
36	A"	1240	1126	86.17
37	A"	1132	1029	6.00
38	A"	1059	962	2.87
39	A"	942	856	1.43
40	A"	887	806	1.28
41	A"	497	451	0.00
42	A"	252	229	0.35

Atom	x (Å)	y (Å)	z (Å)
O1	-0.643	-1.247	0.000
C2	0.619	1.324	0.000
H3	1.686	1.101	0.000
H4	0.524	2.405	0.000
C5	-0.023	0.724	1.254
C6	-0.023	0.724	-1.254
C7	-0.023	-0.797	-1.172
C8	-0.023	-0.797	1.172
H9	0.504	1.044	2.150
H10	0.504	1.044	-2.150
H11	-1.051	1.069	1.340
H12	-1.051	1.069	-1.340
H13	1.002	-1.174	-1.214
H14	1.002	-1.174	1.214
H15	-0.570	-1.234	-1.997
H16	-0.570	-1.234	1.997

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8639	3.3072	3.8349	2.4177	2.4177	1.4002	1.4002	3.3447	3.3447	2.7074	2.7074	2.0457	2.0457	1.9985	1.9985
C2	2.8639		1.0897	1.0861	1.5309	1.5309	2.5067	2.5067	2.1714	2.1714	2.1561	2.1561	2.8034	2.8034	3.4563	3.4563
H3	3.3072	1.0897		1.7465	2.1525	2.1525	2.8100	2.8100	2.4543	2.4543	3.0472	3.0472	2.6679	2.6679	3.8121	3.8121
H4	3.8349	1.0861	1.7465		2.1676	2.1676	3.4542	3.4542	2.5453	2.5453	2.4623	2.4623	3.8100	3.8100	4.2937	4.2937
C5	2.4177	1.5309	2.1525	2.1676		2.5083	2.8639	1.5240	1.0872	3.4596	1.0878	2.8120	3.2782	2.1578	3.8351	2.1653
C6	2.4177	1.5309	2.1525	2.1676	2.5083		1.5240	2.8639	3.4596	1.0872	2.8120	1.0878	2.1578	3.2782	2.1653	3.8351
C7	1.4002	2.5067	2.8100	3.4542	2.8639	1.5240		2.3439	3.8345	2.1503	3.2944	2.1378	1.0925	2.6239	1.0825	3.2456
C8	1.4002	2.5067	2.8100	3.4542	1.5240	2.8639	2.3439		2.1503	3.8345	2.1378	3.2944	2.6239	1.0925	3.2456	1.0825
H9	3.3447	2.1714	2.4543	2.5453	1.0872	3.4596	3.8345	2.1503		4.3004	1.7531	3.8212	4.0602	2.4583	4.8522	2.5232
H10	3.3447	2.1714	2.4543	2.5453	3.4596	1.0872	2.1503	3.8345	4.3004		3.8212	1.7531	2.4583	4.0602	2.5232	4.8522
H11	2.7074	2.1561	3.0472	2.4623	1.0878	2.8120	3.2944	2.1378	1.7531	3.8212		2.6807	3.9714	3.0435	4.0837	2.4432
H12	2.7074	2.1561	3.0472	2.4623	2.8120	1.0878	2.1378	3.2944	3.8212	1.7531	2.6807		3.0435	3.9714	2.4432	4.0837
H13	2.0457	2.8034	2.6679	3.8100	3.2782	2.1578	1.0925	2.6239	4.0602	2.4583	3.9714	3.0435		2.4281	1.7575	3.5759
H14	2.0457	2.8034	2.6679	3.8100	2.1578	3.2782	2.6239	1.0925	2.4583	4.0602	3.0435	3.9714	2.4281		3.5759	1.7575
H15	1.9985	3.4563	3.8121	4.2937	3.8351	2.1653	1.0825	3.2456	4.8522	2.5232	4.0837	2.4432	1.7575	3.5759		3.9943
H16	1.9985	3.4563	3.8121	4.2937	2.1653	3.8351	3.2456	1.0825	2.5232	4.8522	2.4432	4.0837	3.5759	1.7575	3.9943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	111.469	O1	C7	H13	109.688
O1	C7	H15	106.513	O1	C8	C5	111.469
O1	C8	H14	109.688	O1	C8	H16	106.513
C2	C5	C8	110.280	C2	C5	H9	110.931
C2	C5	H11	109.686	C2	C6	C7	110.280
C2	C6	H10	110.931	C2	C6	H12	109.686
H3	C2	H4	106.779	H3	C2	C5	109.291
H3	C2	C6	109.291	H4	C2	C5	110.695
H4	C2	C6	110.695	C5	C2	C6	110.016
C5	C8	H14	110.016	C5	C8	H16	111.218
C6	C7	H13	110.016	C6	C7	H15	111.218
C7	O1	C8	113.644	C7	C6	H10	109.736
C7	C6	H12	108.722	C8	C5	H9	109.736
C8	C5	H11	108.722	H9	C5	H11	107.415
H10	C6	H12	107.415	H13	C7	H15	107.813
H14	C8	H16	107.813

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
1	O	-0.483
2	C	-0.218
3	H	0.091
4	H	0.102
5	C	-0.194
6	C	-0.194
7	C	0.091
8	C	0.091
9	H	0.094
10	H	0.094
11	H	0.098
12	H	0.098
13	H	0.070
14	H	0.070
15	H	0.094
16	H	0.094

	x	y	z	Total
	1.087	1.109	0.000	1.553
CHELPG
AIM
ESP

	x	y	z
x	7.449	0.038	0.000
y	0.038	7.952	0.000
z	0.000	0.000	8.781

<r²>	151.480
(<r²>)^1/2	12.308

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-)