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	hartrees
Energy at 0K	-270.568678
Energy at 298.15K	-270.577837
Nuclear repulsion energy	237.331626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3131	4.63
2	A	3139	3027	14.44
3	A	3122	3010	34.37
4	A	3096	2985	11.63
5	A	3069	2959	43.90
6	A	3041	2932	37.06
7	A	3041	2932	34.18
8	A	3011	2903	52.27
9	A	1726	1665	63.92
10	A	1523	1469	0.61
11	A	1503	1449	0.74
12	A	1492	1438	6.62
13	A	1476	1424	8.59
14	A	1423	1372	18.13
15	A	1401	1351	10.27
16	A	1325	1278	8.40
17	A	1270	1225	44.95
18	A	1251	1206	10.84
19	A	1208	1165	12.54
20	A	1201	1158	44.40
21	A	1083	1044	0.30
22	A	1062	1024	2.75
23	A	1037	1000	28.51
24	A	1018	982	20.53
25	A	978	943	23.52
26	A	933	900	18.09
27	A	909	877	27.20
28	A	857	827	5.99
29	A	731	705	36.37
30	A	694	669	2.30
31	A	629	607	0.93
32	A	559	539	0.45
33	A	336	324	2.98
34	A	228	220	8.17
35	A	173	167	2.87
36	A	126	121	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.367	-0.817	0.096
H2	-1.921	-1.416	-0.629
H3	-1.631	-1.143	1.109
O4	0.047	-1.093	-0.094
C5	-1.540	0.711	-0.073
H6	-2.204	1.126	0.692
H7	-1.969	0.974	-1.051
C8	-0.104	1.175	0.050
H9	0.217	2.207	0.101
C10	2.197	0.002	0.010
H11	2.549	-0.494	-0.903
H12	2.657	0.991	0.072
H13	2.536	-0.601	0.860
C14	0.711	0.112	0.002

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0921	1.0968	1.4533	1.5464	2.1983	2.2096	2.3587	3.4132	3.6580	4.0539	4.4110	3.9833	2.2782
H2	1.0921		1.7833	2.0655	2.2314	2.8794	2.4274	3.2373	4.2700	4.4028	4.5728	5.2198	4.7702	3.1090
H3	1.0968	1.7833		2.0658	2.2005	2.3774	3.0429	2.9707	3.9562	4.1443	4.6840	4.9003	4.2099	2.8788
O4	1.4533	2.0655	2.0658		2.4025	3.2579	3.0415	2.2777	3.3101	2.4151	2.6964	3.3436	2.7110	1.3795
C5	1.5464	2.2314	2.2005	2.4025		1.0958	1.0996	1.5138	2.3138	3.8046	4.3422	4.2082	4.3826	2.3302
H6	2.1983	2.8794	2.3774	3.2579	1.0958		1.7656	2.1968	2.7164	4.5942	5.2690	4.9024	5.0486	3.1632
H7	2.2096	2.4274	3.0429	3.0415	1.0996	1.7656		2.1751	2.7613	4.4078	4.7526	4.7600	5.1411	3.0056
C8	2.3587	3.2373	2.9707	2.2777	1.5138	2.1968	2.1751		1.0818	2.5836	3.2759	2.7670	3.2837	1.3403
H9	3.4132	4.2700	3.9562	3.3101	2.3138	2.7164	2.7613	1.0818		2.9657	3.7069	2.7265	3.7207	2.1545
C10	3.6580	4.4028	4.1443	2.4151	3.8046	4.5942	4.4078	2.5836	2.9657		1.0962	1.0924	1.0959	1.4904
H11	4.0539	4.5728	4.6840	2.6964	4.3422	5.2690	4.7526	3.2759	3.7069	1.0962		1.7792	1.7658	2.1360
H12	4.4110	5.2198	4.9003	3.3436	4.2082	4.9024	4.7600	2.7670	2.7265	1.0924	1.7792		1.7805	2.1358
H13	3.9833	4.7702	4.2099	2.7110	4.3826	5.0486	5.1411	3.2837	3.7207	1.0959	1.7658	1.7805		2.1394
C14	2.2782	3.1090	2.8788	1.3795	2.3302	3.1632	3.0056	1.3403	2.1545	1.4904	2.1360	2.1358	2.1394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.040	C1	C5	H6	111.468
C1	C5	H7	112.148	C1	C5	C8	100.839
H2	C1	H3	109.120	H2	C1	O4	107.628
H2	C1	C5	114.395	H3	C1	O4	107.380
H3	C1	C5	111.588	O4	C1	C5	106.392
O4	C14	C8	113.738	O4	C14	C10	114.552
C5	C8	H9	125.276	C5	C8	C14	109.309
H6	C5	H7	107.071	H6	C5	C8	113.697
H7	C5	C8	111.689	C8	C14	C10	131.701
H9	C8	C14	125.291	H11	C10	H12	108.771
H11	C10	H13	107.322	H11	C10	C14	110.418
H12	C10	H13	108.906	H12	C10	C14	110.632
H13	C10	C14	110.705

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	0.017	0.043
2	H	0.138	0.058
3	H	0.137	0.052
4	O	-0.318	-0.353
5	C	-0.476	0.147
6	H	0.148	-0.007
7	H	0.152	0.007
8	C	0.192	-0.432
9	H	0.125	0.149
10	C	-0.677	-0.649
11	H	0.167	0.191
12	H	0.155	0.181
13	H	0.167	0.185
14	C	0.073	0.428

	x	y	z	Total
	-0.489	0.768	0.118	0.918
CHELPG
AIM
ESP	-0.483	0.739	0.111	0.889

	x	y	z
x	10.578	-0.630	-0.004
y	-0.630	9.331	0.008
z	-0.004	0.008	7.140

<r²>	157.267
(<r²>)^1/2	12.541

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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