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	hartrees
Energy at 0K	-269.714993
Energy at 298.15K	-269.724262
HF Energy	-268.832704
Nuclear repulsion energy	238.164247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3097	3.38
2	A	3206	3008	12.68
3	A	3184	2987	35.22
4	A	3177	2981	11.34
5	A	3145	2951	27.58
6	A	3108	2916	14.94
7	A	3103	2912	42.68
8	A	3091	2901	38.03
9	A	1806	1695	39.06
10	A	1583	1485	0.14
11	A	1561	1465	0.31
12	A	1553	1457	4.94
13	A	1531	1437	7.40
14	A	1480	1389	20.69
15	A	1449	1359	8.53
16	A	1379	1294	8.60
17	A	1321	1239	51.61
18	A	1295	1215	7.44
19	A	1253	1176	27.62
20	A	1246	1169	11.45
21	A	1120	1051	0.11
22	A	1098	1031	25.80
23	A	1095	1027	26.12
24	A	1065	999	4.07
25	A	1012	949	11.09
26	A	973	913	14.98
27	A	940	882	25.37
28	A	893	838	5.88
29	A	752	705	26.62
30	A	703	660	1.01
31	A	645	605	1.63
32	A	554	519	2.62
33	A	338	317	2.32
34	A	230	216	5.38
35	A	177	166	2.83
36	A	141	132	2.47

Atom	x (Å)	y (Å)	z (Å)
C1	-1.357	-0.822	0.061
H2	-1.876	-1.374	-0.727
H3	-1.695	-1.200	1.033
O4	0.052	-1.094	-0.060
C5	-1.537	0.713	-0.048
H6	-2.161	1.104	0.763
H7	-2.012	1.008	-0.992
C8	-0.101	1.176	0.033
H9	0.216	2.211	0.066
C10	2.191	0.003	0.006
H11	2.535	-0.514	-0.895
H12	2.646	0.995	0.046
H13	2.524	-0.580	0.871
C14	0.705	0.112	-0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0931	1.0958	1.4398	1.5494	2.2014	2.2101	2.3601	3.4160	3.6428	4.0197	4.3958	3.9720	2.2646
H2	1.0931		1.7769	2.0584	2.2209	2.9051	2.4001	3.1983	4.2251	4.3553	4.4970	5.1625	4.7477	3.0653
H3	1.0958	1.7769		2.0631	2.2033	2.3661	3.0123	3.0311	4.0276	4.1952	4.6990	4.9634	4.2676	2.9241
O4	1.4398	2.0584	2.0631		2.4058	3.2252	3.0887	2.2771	3.3106	2.4047	2.6834	3.3320	2.6915	1.3728
C5	1.5494	2.2209	2.2033	2.4058		1.0954	1.0971	1.5103	2.3080	3.7950	4.3364	4.1931	4.3598	2.3215
H6	2.2014	2.9051	2.3661	3.2252	1.0954		1.7642	2.1863	2.7133	4.5521	5.2364	4.8613	4.9797	3.1273
H7	2.2101	2.4001	3.0123	3.0887	1.0971	1.7642		2.1742	2.7437	4.4347	4.7955	4.7717	5.1541	3.0274
C8	2.3601	3.1983	3.0311	2.2771	1.5103	2.1863	2.1742		1.0822	2.5754	3.2665	2.7534	3.2684	1.3358
H9	3.4160	4.2251	4.0276	3.3106	2.3080	2.7133	2.7437	1.0822		2.9626	3.7046	2.7172	3.7100	2.1556
C10	3.6428	4.3553	4.1952	2.4047	3.7950	4.5521	4.4347	2.5754	2.9626		1.0947	1.0920	1.0946	1.4897
H11	4.0197	4.4970	4.6990	2.6834	4.3364	5.2364	4.7955	3.2665	3.7046	1.0947		1.7813	1.7672	2.1311
H12	4.3958	5.1625	4.9634	3.3320	4.1931	4.8613	4.7717	2.7534	2.7172	1.0920	1.7813		1.7822	2.1325
H13	3.9720	4.7477	4.2676	2.6915	4.3598	4.9797	5.1541	3.2684	3.7100	1.0946	1.7672	1.7822		2.1325
C14	2.2646	3.0653	2.9241	1.3728	2.3215	3.1273	3.0274	1.3358	2.1556	1.4897	2.1311	2.1325	2.1325

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.229	C1	C5	H6	111.532
C1	C5	H7	112.126	C1	C5	C8	100.941
H2	C1	H3	108.543	H2	C1	O4	107.935
H2	C1	C5	113.240	H3	C1	O4	108.146
H3	C1	C5	111.654	O4	C1	C5	107.134
O4	C14	C8	114.423	O4	C14	C10	114.232
C5	C8	H9	124.991	C5	C8	C14	109.158
H6	C5	H7	107.159	H6	C5	C8	113.120
H7	C5	C8	112.027	C8	C14	C10	131.343
H9	C8	C14	125.794	H11	C10	H12	109.101
H11	C10	H13	107.639	H11	C10	C14	110.150
H12	C10	H13	109.184	H12	C10	C14	110.434
H13	C10	C14	110.275

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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