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	hartrees
Energy at 0K	-269.938970
Energy at 298.15K	-269.952122
Nuclear repulsion energy	258.763895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	2990	50.28
2	A'	3271	2944	149.46
3	A'	3251	2926	64.18
4	A'	3214	2892	5.61
5	A'	3197	2877	149.51
6	A'	3190	2870	31.21
7	A'	1666	1499	6.24
8	A'	1647	1482	6.74
9	A'	1642	1478	7.55
10	A'	1548	1393	4.81
11	A'	1524	1372	3.24
12	A'	1426	1283	2.69
13	A'	1401	1261	5.65
14	A'	1299	1169	4.35
15	A'	1143	1028	8.09
16	A'	1111	1000	10.75
17	A'	953	858	7.68
18	A'	926	834	28.14
19	A'	866	780	4.37
20	A'	610	549	7.57
21	A'	459	413	4.64
22	A'	397	358	6.18
23	A'	249	224	9.55
24	A"	3317	2985	68.79
25	A"	3261	2935	47.20
26	A"	3211	2889	86.07
27	A"	3189	2870	20.60
28	A"	1653	1487	0.59
29	A"	1633	1469	4.56
30	A"	1526	1373	4.64
31	A"	1515	1363	0.08
32	A"	1502	1352	6.58
33	A"	1412	1271	8.16
34	A"	1338	1204	49.92
35	A"	1296	1166	2.50
36	A"	1217	1095	66.73
37	A"	1166	1049	30.17
38	A"	1078	970	5.74
39	A"	951	856	1.40
40	A"	899	809	1.38
41	A"	495	445	0.04
42	A"	242	218	0.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	1.421	0.000
C2	0.029	-1.461	0.000
H3	-1.027	-1.722	0.000
H4	0.582	-2.394	0.000
C5	0.354	-0.645	1.265
C6	0.354	-0.645	-1.265
C7	-0.337	0.722	-1.213
C8	-0.337	0.722	1.213
H9	0.041	-1.178	2.157
H10	0.041	-1.178	-2.157
H11	1.426	-0.495	1.336
H12	1.426	-0.495	-1.336
H13	-1.417	0.604	-1.270
H14	-1.417	0.604	1.270
H15	-0.019	1.364	-2.020
H16	-0.019	1.364	2.020

	O1	C2	H3	H4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14	H15	H16
O1		2.8821	3.3064	3.8585	2.4481	2.4481	1.4397	1.4397	3.3776	3.3776	2.7363	2.7363	2.0708	2.0708	2.0204	2.0204
C2	2.8821		1.0879	1.0842	1.5405	1.5405	2.5243	2.5243	2.1757	2.1757	2.1612	2.1612	2.8230	2.8230	3.4731	3.4731
H3	3.3064	1.0879		1.7440	2.1610	2.1610	2.8148	2.8148	2.4678	2.4678	3.0514	3.0514	2.6790	2.6790	3.8235	3.8235
H4	3.8585	1.0842	1.7440		2.1705	2.1705	3.4675	3.4675	2.5345	2.5345	2.4702	2.4702	3.8205	3.8205	4.3079	4.3079
C5	2.4481	1.5405	2.1610	2.1705		2.5306	2.9134	1.5325	1.0853	3.4779	1.0850	2.8172	3.3356	2.1672	3.8684	2.1778
C6	2.4481	1.5405	2.1610	2.1705	2.5306		1.5325	2.9134	3.4779	1.0853	2.8172	1.0850	2.1672	3.3356	2.1778	3.8684
C7	1.4397	2.5243	2.8148	3.4675	2.9134	1.5325		2.4261	3.8873	2.1551	3.3293	2.1456	1.0883	2.7108	1.0786	3.3110
C8	1.4397	2.5243	2.8148	3.4675	1.5325	2.9134	2.4261		2.1551	3.8873	2.1456	3.3293	2.7108	1.0883	3.3110	1.0786
H9	3.3776	2.1757	2.4678	2.5345	1.0853	3.4779	3.8873	2.1551		4.3142	1.7499	3.8191	4.1290	2.4672	4.8897	2.5463
H10	3.3776	2.1757	2.4678	2.5345	3.4779	1.0853	2.1551	3.8873	4.3142		3.8191	1.7499	2.4672	4.1290	2.5463	4.8897
H11	2.7363	2.1612	3.0514	2.4702	1.0850	2.8172	3.3293	2.1456	1.7499	3.8191		2.6711	4.0103	3.0489	4.0987	2.4516
H12	2.7363	2.1612	3.0514	2.4702	2.8172	1.0850	2.1456	3.3293	3.8191	1.7499	2.6711		3.0489	4.0103	2.4516	4.0987
H13	2.0708	2.8230	2.6790	3.8205	3.3356	2.1672	1.0883	2.7108	4.1290	2.4672	4.0103	3.0489		2.5407	1.7589	3.6546
H14	2.0708	2.8230	2.6790	3.8205	2.1672	3.3356	2.7108	1.0883	2.4672	4.1290	3.0489	4.0103	2.5407		3.6546	1.7589
H15	2.0204	3.4731	3.8235	4.3079	3.8684	2.1778	1.0786	3.3110	4.8897	2.5463	4.0987	2.4516	1.7589	3.6546		4.0391
H16	2.0204	3.4731	3.8235	4.3079	2.1778	3.8684	3.3110	1.0786	2.5463	4.8897	2.4516	4.0987	3.6546	1.7589	4.0391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C7	C6	110.869	O1	C7	H13	109.209
O1	C7	H15	105.814	O1	C8	C5	110.869
O1	C8	H14	109.209	O1	C8	H16	105.814
C2	C5	C8	110.458	C2	C5	H9	110.708
C2	C5	H11	109.584	C2	C6	C7	110.458
C2	C6	H10	110.708	C2	C6	H12	109.584
H3	C2	H4	106.819	H3	C2	C5	109.395
H3	C2	C6	109.395	H4	C2	C5	110.358
H4	C2	C6	110.358	C5	C2	C6	110.439
C5	C8	H14	110.416	C5	C8	H16	111.864
C6	C7	H13	110.416	C6	C7	H15	111.864
C7	O1	C8	114.829	C7	C6	H10	109.639
C7	C6	H12	108.914	C8	C5	H9	109.639
C8	C5	H11	108.914	H9	C5	H11	107.471
H10	C6	H12	107.471	H13	C7	H15	108.525
H14	C8	H16	108.525

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

using model chemistry: HF/LANL2DZ

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	-0.501
2	C	-0.335
3	H	0.149
4	H	0.185
5	C	-0.311
6	C	-0.311
7	C	-0.101
8	C	-0.101
9	H	0.166
10	H	0.166
11	H	0.170
12	H	0.170
13	H	0.138
14	H	0.138
15	H	0.189
16	H	0.189

	x	y	z	Total
	-0.666	-2.126	0.000	2.228
CHELPG
AIM
ESP

	x	y	z
x	6.758	-0.110	0.000
y	-0.110	7.203	0.000
z	0.000	0.000	8.153

<r²>	154.348
(<r²>)^1/2	12.424

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

using model chemistry: HF/LANL2DZ

States and conformations

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