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	hartrees
Energy at 0K	-268.928165
Energy at 298.15K	-268.937704
Nuclear repulsion energy	240.174707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3376	3068	4.72
2	A	3254	2957	21.29
3	A	3243	2947	51.56
4	A	3218	2924	18.25
5	A	3197	2905	77.27
6	A	3177	2886	26.04
7	A	3167	2878	26.93
8	A	3152	2864	57.71
9	A	1865	1694	91.33
10	A	1655	1503	0.61
11	A	1627	1478	0.65
12	A	1604	1458	4.48
13	A	1590	1445	6.83
14	A	1549	1407	29.18
15	A	1530	1390	4.25
16	A	1448	1316	9.73
17	A	1386	1259	52.97
18	A	1364	1239	5.32
19	A	1318	1198	8.30
20	A	1307	1187	70.84
21	A	1175	1068	1.38
22	A	1162	1056	9.15
23	A	1154	1049	57.40
24	A	1101	1000	6.71
25	A	1060	963	12.64
26	A	998	907	44.24
27	A	982	892	9.76
28	A	922	837	5.51
29	A	837	760	37.12
30	A	766	696	0.65
31	A	669	608	0.98
32	A	622	565	0.29
33	A	359	326	3.10
34	A	248	225	6.83
35	A	201	183	3.08
36	A	106	96	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.350	-0.814	0.076
H2	-1.883	-1.379	-0.674
H3	-1.650	-1.165	1.055
O4	0.038	-1.070	-0.077
C5	-1.526	0.710	-0.056
H6	-2.155	1.107	0.732
H7	-1.980	0.990	-1.002
C8	-0.090	1.162	0.036
H9	0.239	2.178	0.080
C10	2.180	-0.006	0.010
H11	2.521	-0.508	-0.889
H12	2.637	0.972	0.062
H13	2.505	-0.596	0.859
C14	0.697	0.107	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0798	1.0831	1.4197	1.5400	2.1837	2.1931	2.3435	3.3881	3.6223	4.0010	4.3692	3.9399	2.2465
H2	1.0798		1.7583	2.0354	2.2081	2.8691	2.3930	3.1898	4.2104	4.3434	4.4945	5.1483	4.7138	3.0533
H3	1.0831	1.7583		2.0347	2.1834	2.3498	2.9972	2.9810	3.9623	4.1364	4.6484	4.8926	4.1986	2.8714
O4	1.4197	2.0354	2.0347		2.3700	3.1942	3.0278	2.2383	3.2581	2.3937	2.6721	3.3086	2.6809	1.3516
C5	1.5400	2.2081	2.1834	2.3700		1.0833	1.0857	1.5082	2.3002	3.7756	4.3077	4.1736	4.3350	2.3046
H6	2.1837	2.8691	2.3498	3.1942	1.0833		1.7469	2.1799	2.7034	4.5339	5.2057	4.8412	4.9631	3.1103
H7	2.1931	2.3930	2.9972	3.0278	1.0857	1.7469		2.1626	2.7399	4.3951	4.7442	4.7380	5.1074	2.9911
C8	2.3435	3.1898	2.9810	2.2383	1.5082	2.1799	2.1626		1.0694	2.5531	3.2341	2.7343	3.2402	1.3166
H9	3.3881	4.2104	3.9623	3.2581	2.3002	2.7034	2.7399	1.0694		2.9223	3.6545	2.6842	3.6649	2.1223
C10	3.6223	4.3434	4.1364	2.3937	3.7756	4.5339	4.3951	2.5531	2.9223		1.0839	1.0805	1.0837	1.4872
H11	4.0010	4.4945	4.6484	2.6721	4.3077	5.2057	4.7442	3.2341	3.6545	1.0839		1.7626	1.7497	2.1193
H12	4.3692	5.1483	4.8926	3.3086	4.1736	4.8412	4.7380	2.7343	2.6842	1.0805	1.7626		1.7633	2.1249
H13	3.9399	4.7138	4.1986	2.6809	4.3350	4.9631	5.1074	3.2402	3.6649	1.0837	1.7497	1.7633		2.1213
C14	2.2465	3.0533	2.8714	1.3516	2.3046	3.1103	2.9911	1.3166	2.1223	1.4872	2.1193	2.1249	2.1213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	108.292	C1	C5	H6	111.506
C1	C5	H7	112.124	C1	C5	C8	100.493
H2	C1	H3	108.769	H2	C1	O4	108.277
H2	C1	C5	113.720	H3	C1	O4	108.027
H3	C1	C5	111.500	O4	C1	C5	106.334
O4	C14	C8	114.035	O4	C14	C10	114.881
C5	C8	H9	125.489	C5	C8	C14	109.161
H6	C5	H7	107.298	H6	C5	C8	113.518
H7	C5	C8	111.943	C8	C14	C10	131.078
H9	C8	C14	125.297	H11	C10	H12	109.043
H11	C10	H13	107.643	H11	C10	C14	110.045
H12	C10	H13	109.128	H12	C10	C14	110.702
H13	C10	C14	110.214

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

using model chemistry: HF/6-311+G(3df,2p)

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
1	C	0.315
2	H	0.122
3	H	0.124
4	O	-0.996
5	C	-0.450
6	H	0.117
7	H	0.118
8	C	-0.340
9	H	0.119
10	C	-0.119
11	H	0.133
12	H	0.124
13	H	0.131
14	C	0.601

	x	y	z	Total
	-0.413	0.719	0.108	0.836
CHELPG
AIM
ESP

	x	y	z
x	10.174	-0.620	-0.008
y	-0.620	8.911	-0.004
z	-0.008	-0.004	6.976

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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