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	hartrees
Energy at 0K	-269.867865
Energy at 298.15K	-269.877168
HF Energy	-268.885988
Nuclear repulsion energy	238.549555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3102	3.28
2	A	3196	3027	11.62
3	A	3183	3015	31.35
4	A	3163	2995	10.65
5	A	3142	2976	24.09
6	A	3085	2922	17.09
7	A	3082	2919	52.22
8	A	3069	2906	41.23
9	A	1728	1637	37.40
10	A	1552	1470	1.47
11	A	1532	1451	1.64
12	A	1526	1446	7.65
13	A	1508	1428	10.50
14	A	1452	1375	23.07
15	A	1426	1350	4.92
16	A	1352	1280	9.48
17	A	1295	1227	45.37
18	A	1280	1213	16.72
19	A	1235	1169	5.84
20	A	1226	1161	35.81
21	A	1104	1045	0.44
22	A	1077	1020	4.30
23	A	1061	1005	45.66
24	A	1047	992	3.68
25	A	987	935	12.78
26	A	968	917	11.90
27	A	933	884	25.60
28	A	885	838	8.74
29	A	725	686	34.52
30	A	671	635	0.86
31	A	637	604	1.76
32	A	561	531	1.63
33	A	336	318	2.38
34	A	233	221	4.52
35	A	188	178	6.80
36	A	168	159	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.341	-0.807	0.144
H2	-1.944	-1.462	-0.484
H3	-1.517	-1.042	1.200
O4	0.048	-1.089	-0.138
C5	-1.537	0.693	-0.111
H6	-2.252	1.127	0.592
H7	-1.898	0.895	-1.127
C8	-0.118	1.173	0.076
H9	0.202	2.204	0.142
C10	2.184	0.010	0.014
H11	2.535	-0.459	-0.909
H12	2.637	0.997	0.105
H13	2.515	-0.616	0.847
C14	0.701	0.111	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0898	1.0959	1.4451	1.5336	2.1837	2.1964	2.3278	3.3829	3.6203	4.0314	4.3684	3.9236	2.2432
H2	1.0898		1.7875	2.0561	2.2242	2.8202	2.4439	3.2540	4.2935	4.4105	4.6096	5.2330	4.7294	3.1150
H3	1.0959	1.7875		2.0595	2.1742	2.3686	3.0517	2.8505	3.8219	4.0260	4.6051	4.7557	4.0696	2.7731
O4	1.4451	2.0561	2.0595		2.3848	3.2760	2.9503	2.2779	3.3086	2.4066	2.6790	3.3341	2.6976	1.3729
C5	1.5336	2.2242	2.1742	2.3848		1.0929	1.0972	1.5093	2.3173	3.7845	4.3059	4.1907	4.3637	2.3147
H6	2.1837	2.8202	2.3686	3.2760	1.0929		1.7706	2.1960	2.7171	4.6103	5.2612	4.9151	5.0812	3.1785
H7	2.1964	2.4439	3.0517	2.9503	1.0972	1.7706		2.1658	2.7803	4.3294	4.6401	4.7006	5.0644	2.9390
C8	2.3278	3.2540	2.8505	2.2779	1.5093	2.1960	2.1658		1.0817	2.5794	3.2664	2.7611	3.2746	1.3432
H9	3.3829	4.2935	3.8219	3.3086	2.3173	2.7171	2.7803	1.0817		2.9594	3.6932	2.7185	3.7143	2.1567
C10	3.6203	4.4105	4.0260	2.4066	3.7845	4.6103	4.3294	2.5794	2.9594		1.0932	1.0903	1.0928	1.4862
H11	4.0314	4.6096	4.6051	2.6790	4.3059	5.2612	4.6401	3.2664	3.6932	1.0932		1.7774	1.7628	2.1243
H12	4.3684	5.2330	4.7557	3.3341	4.1907	4.9151	4.7006	2.7611	2.7185	1.0903	1.7774		1.7795	2.1323
H13	3.9236	4.7294	4.0696	2.6976	4.3637	5.0812	5.0644	3.2746	3.7143	1.0928	1.7628	1.7795		2.1296
C14	2.2432	3.1150	2.7731	1.3729	2.3147	3.1785	2.9390	1.3432	2.1567	1.4862	2.1243	2.1323	2.1296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.477	C1	C5	H6	111.388
C1	C5	H7	112.141	C1	C5	C8	99.809
H2	C1	H3	109.731	H2	C1	O4	107.583
H2	C1	C5	114.902	H3	C1	O4	107.497
H3	C1	C5	110.446	O4	C1	C5	106.339
O4	C14	C8	113.997	O4	C14	C10	114.593
C5	C8	H9	126.052	C5	C8	C14	108.341
H6	C5	H7	107.894	H6	C5	C8	114.156
H7	C5	C8	111.406	C8	C14	C10	131.401
H9	C8	C14	125.245	H11	C10	H12	108.973
H11	C10	H13	107.485	H11	C10	C14	109.954
H12	C10	H13	109.192	H12	C10	C14	110.767
H13	C10	C14	110.396

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

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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