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	hartrees
Energy at 0K	-270.643217
Energy at 298.15K	-270.652400
HF Energy	-270.643217
Nuclear repulsion energy	237.923030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3126	3.46
2	A	3128	3019	14.22
3	A	3111	3003	34.45
4	A	3083	2976	12.77
5	A	3061	2955	44.25
6	A	3035	2930	39.85
7	A	3034	2929	24.37
8	A	3007	2903	49.44
9	A	1723	1663	60.33
10	A	1525	1472	0.84
11	A	1504	1452	0.84
12	A	1492	1441	6.61
13	A	1476	1425	8.48
14	A	1424	1374	13.37
15	A	1400	1352	7.61
16	A	1323	1278	6.70
17	A	1271	1227	42.06
18	A	1252	1208	8.13
19	A	1212	1170	6.05
20	A	1197	1156	54.33
21	A	1085	1047	0.22
22	A	1068	1031	2.63
23	A	1038	1003	20.41
24	A	1012	977	20.91
25	A	977	944	33.08
26	A	930	898	17.18
27	A	907	876	28.44
28	A	857	827	6.25
29	A	735	709	31.29
30	A	701	677	2.37
31	A	632	610	0.84
32	A	560	541	0.52
33	A	340	328	2.67
34	A	229	221	7.27
35	A	174	168	2.82
36	A	118	114	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.326	-0.760	0.244
H2	-2.113	-1.437	-0.092
H3	-1.251	-0.801	1.334
O4	-0.016	-1.092	-0.258
C5	-1.490	0.713	-0.143
H6	-2.242	1.181	0.493
H7	-1.754	0.821	-1.203
C8	-0.096	1.129	0.058
H9	0.243	2.108	0.201
C10	2.157	0.011	0.056
H11	2.595	-0.380	-0.866
H12	2.543	1.015	0.228
H13	2.477	-0.635	0.878
C14	0.694	0.051	-0.035

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0907	1.0936	1.4418	1.5321	2.1605	2.1854	2.2625	3.2700	3.5729	4.0938	4.2571	3.8578	2.1948
H2	1.0907		1.7844	2.1312	2.2391	2.6858	2.5415	3.2673	4.2667	4.5112	4.8871	5.2716	4.7592	3.1771
H3	1.0936	1.7844		2.0354	2.1287	2.3704	3.0529	2.5859	3.4608	3.7289	4.4510	4.3486	3.7590	2.5260
O4	1.4418	2.1312	2.0354		2.3334	3.2685	2.7517	2.2453	3.2436	2.4573	2.7745	3.3503	2.7772	1.3640
C5	1.5321	2.2391	2.1287	2.3334		1.0898	1.0977	1.4685	2.2512	3.7195	4.2907	4.0610	4.3123	2.2844
H6	2.1605	2.6858	2.3704	3.2685	1.0898		1.8008	2.1896	2.6678	4.5727	5.2613	4.7945	5.0707	3.1892
H7	2.1854	2.5415	3.0529	2.7517	1.0977	1.8008		2.1054	2.7597	4.1876	4.5245	4.5326	4.9342	2.8189
C8	2.2625	3.2673	2.5859	2.2453	1.4685	2.1896	2.1054		1.0458	2.5157	3.2215	2.6468	3.2258	1.3398
H9	3.2700	4.2667	3.4608	3.2436	2.2512	2.6678	2.7597	1.0458		2.8434	3.5870	2.5465	3.6020	2.1192
C10	3.5729	4.5112	3.7289	2.4573	3.7195	4.5727	4.1876	2.5157	2.8434		1.0935	1.0894	1.0928	1.4669
H11	4.0938	4.8871	4.4510	2.7745	4.2907	5.2613	4.5245	3.2215	3.5870	1.0935		1.7739	1.7663	2.1199
H12	4.2571	5.2716	4.3486	3.3503	4.0610	4.7945	4.5326	2.6468	2.5465	1.0894	1.7739		1.7748	2.1018
H13	3.8578	4.7592	3.7590	2.7772	4.3123	5.0707	4.9342	3.2258	3.6020	1.0928	1.7663	1.7748		2.1175
C14	2.1948	3.1771	2.5260	1.3640	2.2844	3.1892	2.8189	1.3398	2.1192	1.4669	2.1199	2.1018	2.1175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	102.894	C1	C5	H6	109.833
C1	C5	H7	111.334	C1	C5	C8	97.855
H2	C1	H3	109.557	H2	C1	O4	113.885
H2	C1	C5	116.216	H3	C1	O4	105.976
H3	C1	C5	107.151	O4	C1	C5	103.330
O4	C14	C8	112.278	O4	C14	C10	120.419
C5	C8	H9	126.283	C5	C8	C14	108.781
H6	C5	H7	110.820	H6	C5	C8	116.943
H7	C5	C8	109.412	C8	C14	C10	127.296
H9	C8	C14	124.866	H11	C10	H12	108.710
H11	C10	H13	107.781	H11	C10	C14	110.936
H12	C10	H13	108.837	H12	C10	C14	109.727
H13	C10	C14	110.785

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

using model chemistry: B3LYP/TZVP

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	-0.083
2	H	0.124
3	H	0.121
4	O	-0.223
5	C	-0.251
6	H	0.123
7	H	0.123
8	C	-0.136
9	H	0.127
10	C	-0.431
11	H	0.134
12	H	0.131
13	H	0.135
14	C	0.104

	x	y	z	Total
	-0.491	0.760	0.119	0.913
CHELPG
AIM
ESP

	x	y	z
x	10.710	-0.607	0.006
y	-0.607	9.214	-0.020
z	0.006	-0.020	6.952

<r²>	156.528
(<r²>)^1/2	12.511

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

using model chemistry: B3LYP/TZVP

States and conformations

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