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	hartrees
Energy at 0K	-48.607299
Energy at 298.15K	-48.616533
HF Energy	-47.776908
Nuclear repulsion energy	128.234767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3107	4.40
2	A	3187	3037	15.36
3	A	3177	3027	37.12
4	A	3159	3010	13.66
5	A	3136	2988	28.27
6	A	3072	2927	52.18
7	A	3071	2926	27.97
8	A	3060	2916	49.84
9	A	1700	1620	37.40
10	A	1549	1476	0.54
11	A	1529	1457	0.95
12	A	1525	1453	7.41
13	A	1507	1435	9.07
14	A	1446	1378	15.04
15	A	1413	1346	7.01
16	A	1347	1284	10.45
17	A	1277	1217	41.62
18	A	1257	1198	19.41
19	A	1220	1162	8.31
20	A	1208	1151	36.00
21	A	1097	1045	0.55
22	A	1065	1015	2.26
23	A	1047	997	47.30
24	A	1039	990	3.35
25	A	971	926	12.33
26	A	956	911	13.90
27	A	914	871	26.60
28	A	872	831	11.55
29	A	713	680	41.38
30	A	659	628	1.25
31	A	622	593	1.97
32	A	539	513	1.76
33	A	329	314	2.55
34	A	235	224	3.75
35	A	191	182	7.86
36	A	167	159	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.803	0.147
H2	-1.967	-1.460	-0.481
H3	-1.527	-1.035	1.208
O4	0.042	-1.094	-0.148
C5	-1.551	0.708	-0.114
H6	-2.268	1.143	0.590
H7	-1.905	0.906	-1.135
C8	-0.122	1.188	0.081
H9	0.201	2.221	0.153
C10	2.201	0.006	0.013
H11	2.544	-0.459	-0.917
H12	2.655	0.996	0.110
H13	2.526	-0.626	0.846
C14	0.706	0.121	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0926	1.0987	1.4625	1.5445	2.1926	2.2048	2.3464	3.4034	3.6547	4.0622	4.4002	3.9532	2.2688
H2	1.0926		1.7962	2.0686	2.2379	2.8313	2.4559	3.2767	4.3189	4.4456	4.6416	5.2670	4.7584	3.1429
H3	1.0987	1.7962		2.0748	2.1870	2.3823	3.0660	2.8617	3.8341	4.0508	4.6289	4.7769	4.0900	2.7896
O4	1.4625	2.0686	2.0748		2.4045	3.2993	2.9604	2.2995	3.3324	2.4285	2.6940	3.3558	2.7165	1.3926
C5	1.5445	2.2379	2.1870	2.4045		1.0953	1.0995	1.5204	2.3301	3.8184	4.3330	4.2212	4.3954	2.3348
H6	2.1926	2.8313	2.3823	3.2993	1.0953		1.7787	2.2069	2.7293	4.6473	5.2915	4.9487	5.1170	3.2001
H7	2.2048	2.4559	3.0660	2.9604	1.0995	1.7787		2.1773	2.7972	4.3574	4.6593	4.7278	5.0901	2.9542
C8	2.3464	3.2767	2.8617	2.2995	1.5204	2.2069	2.1773		1.0842	2.6065	3.2887	2.7830	3.2996	1.3532
H9	3.4034	4.3189	3.8341	3.3324	2.3301	2.7293	2.7972	1.0842		2.9873	3.7174	2.7431	3.7408	2.1656
C10	3.6547	4.4456	4.0508	2.4285	3.8184	4.6473	4.3574	2.6065	2.9873		1.0955	1.0931	1.0951	1.4988
H11	4.0622	4.6416	4.6289	2.6940	4.3330	5.2915	4.6593	3.2887	3.7174	1.0955		1.7842	1.7712	2.1347
H12	4.4002	5.2670	4.7769	3.3558	4.2212	4.9487	4.7278	2.7830	2.7431	1.0931	1.7842		1.7858	2.1387
H13	3.9532	4.7584	4.0900	2.7165	4.3954	5.1170	5.0901	3.2996	3.7408	1.0951	1.7712	1.7858		2.1410
C14	2.2688	3.1429	2.7896	1.3926	2.3348	3.2001	2.9542	1.3532	2.1656	1.4988	2.1347	2.1387	2.1410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.221	C1	C5	H6	111.173
C1	C5	H7	111.895	C1	C5	C8	99.912
H2	C1	H3	110.113	H2	C1	O4	107.226
H2	C1	C5	115.045	H3	C1	O4	107.359
H3	C1	C5	110.534	O4	C1	C5	106.160
O4	C14	C8	113.735	O4	C14	C10	114.210
C5	C8	H9	126.094	C5	C8	C14	108.539
H6	C5	H7	108.273	H6	C5	C8	114.084
H7	C5	C8	111.408	C8	C14	C10	132.040
H9	C8	C14	124.996	H11	C10	H12	109.217
H11	C10	H13	107.901	H11	C10	C14	109.765
H12	C10	H13	109.397	H12	C10	C14	110.230
H13	C10	C14	110.288

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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