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	hartrees
Energy at 0K	-270.608661
Energy at 298.15K	-270.617801
Nuclear repulsion energy	237.778556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3120	6.67
2	A	3126	3021	19.83
3	A	3109	3004	46.28
4	A	3080	2976	20.06
5	A	3055	2952	63.98
6	A	3034	2932	36.86
7	A	3034	2931	30.91
8	A	3001	2900	60.51
9	A	1729	1671	55.82
10	A	1536	1484	0.53
11	A	1514	1463	0.66
12	A	1507	1456	6.20
13	A	1488	1438	9.14
14	A	1432	1384	15.67
15	A	1408	1361	6.77
16	A	1329	1284	7.61
17	A	1277	1234	40.09
18	A	1260	1218	8.24
19	A	1220	1179	5.67
20	A	1204	1163	51.22
21	A	1089	1052	0.21
22	A	1072	1036	3.26
23	A	1043	1008	23.08
24	A	1018	983	20.99
25	A	982	949	30.18
26	A	934	903	19.84
27	A	912	881	24.20
28	A	858	829	5.26
29	A	729	705	28.34
30	A	703	680	3.14
31	A	632	611	0.92
32	A	561	542	1.16
33	A	335	324	2.29
34	A	225	217	7.25
35	A	171	166	2.32
36	A	109	105	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	-1.366	-0.815	0.085
H2	-1.908	-1.402	-0.657
H3	-1.652	-1.158	1.084
O4	0.048	-1.094	-0.084
C5	-1.536	0.714	-0.066
H6	-2.189	1.124	0.711
H7	-1.978	0.990	-1.032
C8	-0.100	1.172	0.046
H9	0.222	2.203	0.089
C10	2.192	0.003	0.008
H11	2.543	-0.500	-0.898
H12	2.655	0.989	0.062
H13	2.533	-0.594	0.860
C14	0.707	0.110	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0903	1.0946	1.4507	1.5457	2.1975	2.2088	2.3566	3.4101	3.6512	4.0430	4.4068	3.9811	2.2719
H2	1.0903		1.7769	2.0616	2.2283	2.8862	2.4220	3.2235	4.2530	4.3846	4.5482	5.2012	4.7619	3.0921
H3	1.0946	1.7769		2.0631	2.1997	2.3736	3.0326	2.9857	3.9742	4.1565	4.6860	4.9191	4.2283	2.8889
O4	1.4507	2.0616	2.0631		2.4030	3.2481	3.0565	2.2739	3.3055	2.4096	2.6911	3.3396	2.7045	1.3751
C5	1.5457	2.2283	2.1997	2.4030		1.0944	1.0978	1.5116	2.3086	3.7952	4.3364	4.2014	4.3726	2.3239
H6	2.1975	2.8862	2.3736	3.2481	1.0944		1.7607	2.1929	2.7131	4.5758	5.2553	4.8886	5.0265	3.1494
H7	2.2088	2.4220	3.0326	3.0565	1.0978	1.7607		2.1733	2.7504	4.4090	4.7621	4.7598	5.1411	3.0085
C8	2.3566	3.2235	2.9857	2.2739	1.5116	2.1929	2.1733		1.0807	2.5724	3.2668	2.7604	3.2725	1.3344
H9	3.4101	4.2530	3.9742	3.3055	2.3086	2.7131	2.7504	1.0807		2.9542	3.6974	2.7193	3.7091	2.1502
C10	3.6512	4.3846	4.1565	2.4096	3.7952	4.5758	4.4090	2.5724	2.9542		1.0945	1.0905	1.0943	1.4881
H11	4.0430	4.5482	4.6860	2.6911	4.3364	5.2553	4.7621	3.2668	3.6974	1.0945		1.7752	1.7600	2.1335
H12	4.4068	5.2012	4.9191	3.3396	4.2014	4.8886	4.7598	2.7604	2.7193	1.0905	1.7752		1.7764	2.1373
H13	3.9811	4.7619	4.2283	2.7045	4.3726	5.0265	5.1411	3.2725	3.7091	1.0943	1.7600	1.7764		2.1365
C14	2.2719	3.0921	2.8889	1.3751	2.3239	3.1494	3.0085	1.3344	2.1502	1.4881	2.1335	2.1373	2.1365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.993	C1	C5	H6	111.540
C1	C5	H7	112.243	C1	C5	C8	100.847
H2	C1	H3	108.835	H2	C1	O4	107.604
H2	C1	C5	114.304	H3	C1	O4	107.477
H3	C1	C5	111.711	O4	C1	C5	106.594
O4	C14	C8	114.115	O4	C14	C10	114.557
C5	C8	H9	125.055	C5	C8	C14	109.322
H6	C5	H7	106.868	H6	C5	C8	113.632
H7	C5	C8	111.805	C8	C14	C10	131.321
H9	C8	C14	125.506	H11	C10	H12	108.669
H11	C10	H13	107.049	H11	C10	C14	110.469
H12	C10	H13	108.797	H12	C10	C14	111.018
H13	C10	C14	110.725

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

using model chemistry: B3LYP/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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Number	Element	Mulliken	ESP
1	C	-0.213	-0.017
2	H	0.209	0.074
3	H	0.205	0.067
4	O	-0.344	-0.322
5	C	-0.433	0.137
6	H	0.211	0.003
7	H	0.210	0.008
8	C	-0.322	-0.461
9	H	0.188	0.161
10	C	-0.663	-0.743
11	H	0.225	0.208
12	H	0.220	0.205
13	H	0.224	0.205
14	C	0.283	0.475

	x	y	z	Total
	-0.455	0.692	0.118	0.837
CHELPG
AIM
ESP	-0.453	0.654	0.115	0.804

	x	y	z
x	10.208	-0.585	0.017
y	-0.585	8.662	-0.010
z	0.017	-0.010	6.187

<r²>	156.627
(<r²>)^1/2	12.515

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

using model chemistry: B3LYP/6-311G*

States and conformations

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