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	hartrees
Energy at 0K	-269.836817
Energy at 298.15K	-269.846142
HF Energy	-268.920849
Nuclear repulsion energy	238.678961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3292	3120	2.65
2	A	3197	3030	11.45
3	A	3190	3024	27.90
4	A	3167	3002	9.17
5	A	3149	2985	21.64
6	A	3088	2927	17.44
7	A	3087	2926	50.76
8	A	3075	2914	38.34
9	A	1719	1630	39.57
10	A	1541	1461	0.90
11	A	1516	1437	5.70
12	A	1515	1436	1.72
13	A	1493	1415	7.73
14	A	1441	1366	16.78
15	A	1427	1353	2.51
16	A	1350	1280	10.02
17	A	1290	1223	41.02
18	A	1271	1205	18.77
19	A	1227	1163	3.53
20	A	1212	1148	44.92
21	A	1104	1047	1.01
22	A	1075	1019	1.61
23	A	1052	997	41.08
24	A	1040	986	8.13
25	A	982	930	12.86
26	A	960	910	9.41
27	A	926	878	29.72
28	A	884	838	11.19
29	A	705	668	32.98
30	A	667	632	1.61
31	A	634	601	2.07
32	A	543	514	1.64
33	A	340	322	2.40
34	A	239	227	2.56
35	A	199	189	8.04
36	A	173	164	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.320	-0.760	0.247
H2	-2.101	-1.442	-0.089
H3	-1.245	-0.793	1.337
O4	-0.013	-1.094	-0.257
C5	-1.493	0.708	-0.145
H6	-2.247	1.171	0.489
H7	-1.758	0.806	-1.205
C8	-0.101	1.133	0.059
H9	0.238	2.116	0.201
C10	2.157	0.013	0.055
H11	2.594	-0.377	-0.867
H12	2.539	1.018	0.227
H13	2.476	-0.632	0.876
C14	0.692	0.053	-0.035

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0898	1.0936	1.4403	1.5290	2.1556	2.1795	2.2591	3.2708	3.5675	4.0874	4.2491	3.8501	2.1885
H2	1.0898		1.7856	2.1235	2.2347	2.6802	2.5329	3.2636	4.2674	4.5023	4.8766	5.2612	4.7472	3.1685
H3	1.0936	1.7856		2.0373	2.1245	2.3630	3.0467	2.5791	3.4569	3.7239	4.4460	4.3393	3.7526	2.5200
O4	1.4403	2.1235	2.0373		2.3345	3.2678	2.7479	2.2507	3.2518	2.4561	2.7715	3.3476	2.7736	1.3644
C5	1.5290	2.2347	2.1245	2.3345		1.0887	1.0961	1.4701	2.2581	3.7218	4.2899	4.0616	4.3123	2.2843
H6	2.1556	2.6802	2.3630	3.2678	1.0887		1.8003	2.1892	2.6739	4.5750	5.2603	4.7961	5.0706	3.1883
H7	2.1795	2.5329	3.0467	2.7479	1.0961	1.8003		2.1092	2.7702	4.1888	4.5222	4.5342	4.9319	2.8175
C8	2.2591	3.2636	2.5791	2.2507	1.4701	2.1892	2.1092		1.0493	2.5210	3.2248	2.6481	3.2287	1.3432
H9	3.2708	4.2674	3.4569	3.2518	2.2581	2.6739	2.7702	1.0493		2.8513	3.5925	2.5503	3.6080	2.1255
C10	3.5675	4.5023	3.7239	2.4561	3.7218	4.5750	4.1888	2.5210	2.8513		1.0922	1.0886	1.0915	1.4685
H11	4.0874	4.8766	4.4460	2.7715	4.2899	5.2603	4.5222	3.2248	3.5925	1.0922		1.7733	1.7657	2.1198
H12	4.2491	5.2612	4.3393	3.3476	4.0616	4.7961	4.5342	2.6481	2.5503	1.0886	1.7733		1.7741	2.1002
H13	3.8501	4.7472	3.7526	2.7736	4.3123	5.0706	4.9319	3.2287	3.6080	1.0915	1.7657	1.7741		2.1169
C14	2.1885	3.1685	2.5200	1.3644	2.2843	3.1883	2.8175	1.3432	2.1255	1.4685	2.1198	2.1002	2.1169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	102.540	C1	C5	H6	109.720
C1	C5	H7	111.173	C1	C5	C8	97.730
H2	C1	H3	109.731	H2	C1	O4	113.408
H2	C1	C5	116.139	H3	C1	O4	106.223
H3	C1	C5	107.035	O4	C1	C5	103.622
O4	C14	C8	112.447	O4	C14	C10	120.176
C5	C8	H9	126.539	C5	C8	C14	108.493
H6	C5	H7	110.968	H6	C5	C8	116.858
H7	C5	C8	109.696	C8	C14	C10	127.370
H9	C8	C14	124.886	H11	C10	H12	108.805
H11	C10	H13	107.918	H11	C10	C14	110.899
H12	C10	H13	108.931	H12	C10	C14	109.533
H13	C10	C14	110.702

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: MP2/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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All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)