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	hartrees
Energy at 0K	-267.162623
Energy at 298.15K	-267.171349
Nuclear repulsion energy	232.663616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3501	3124	13.62
2	A	3487	3112	0.03
3	A	3456	3084	0.14
4	A	3414	3047	4.60
5	A	3395	3030	2.57
6	A	3314	2958	5.70
7	A	3306	2950	0.31
8	A	3292	2938	7.64
9	A	1846	1647	27.12
10	A	1678	1498	0.08
11	A	1668	1488	6.44
12	A	1658	1480	4.25
13	A	1656	1478	0.62
14	A	1560	1392	2.22
15	A	1492	1331	6.06
16	A	1423	1270	10.52
17	A	1368	1221	49.83
18	A	1331	1188	0.02
19	A	1281	1143	16.68
20	A	1249	1114	1.36
21	A	1147	1023	5.54
22	A	1131	1010	0.71
23	A	1130	1008	8.10
24	A	1106	987	2.83
25	A	1049	936	4.15
26	A	1002	894	7.15
27	A	940	839	6.49
28	A	873	779	0.01
29	A	765	683	13.72
30	A	763	681	0.35
31	A	644	575	1.25
32	A	523	467	1.39
33	A	325	290	1.42
34	A	229	204	4.47
35	A	135	120	1.85
36	A	101	90	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.409	-0.817	-0.000
H2	1.867	-1.282	0.899
H3	1.867	-1.281	-0.900
O4	-0.050	-1.155	0.000
C5	1.555	0.751	0.000
H6	2.106	1.104	-0.891
H7	2.105	1.104	0.893
C8	0.087	1.189	0.000
H9	-0.236	2.232	0.000
C10	-2.242	0.008	-0.000
H11	-2.598	-0.534	0.892
H12	-2.681	1.017	-0.001
H13	-2.597	-0.536	-0.891
C14	-0.715	0.105	-0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.1107	1.1107	1.4979	1.5746	2.2296	2.2296	2.4031	3.4653	3.7438	4.1150	4.4831	4.1143	2.3159
H2	1.1107		1.7987	2.1213	2.2439	2.9924	2.3973	3.1754	4.1930	4.4000	4.5271	5.1753	4.8677	3.0658
H3	1.1107	1.7987		2.1213	2.2438	2.3971	2.9927	3.1748	4.1924	4.3995	4.8684	5.1742	4.5259	3.0653
O4	1.4979	2.1213	2.1213		2.4913	3.2473	3.2468	2.3481	3.3924	2.4816	2.7699	3.4117	2.7689	1.4247
C5	1.5746	2.2439	2.2438	2.4913		1.1061	1.1061	1.5321	2.3246	3.8690	4.4372	4.2447	4.4375	2.3598
H6	2.2296	2.9924	2.3971	3.2473	1.1061		1.7840	2.2083	2.7480	4.5716	5.2901	4.8699	4.9808	3.1222
H7	2.2296	2.3973	2.9927	3.2468	1.1061	1.7840		2.2083	2.7481	4.5712	4.9796	4.8701	5.2900	3.1219
C8	2.4031	3.1754	3.1748	2.3481	1.5321	2.2083	2.2083		1.0920	2.6116	3.3124	2.7739	3.3131	1.3485
H9	3.4653	4.1930	4.1924	3.3924	2.3246	2.7480	2.7481	1.0920		2.9952	3.7449	2.7309	3.7461	2.1804
C10	3.7438	4.4000	4.3995	2.4816	3.8690	4.5716	4.5712	2.6116	2.9952		1.1030	1.0999	1.1030	1.5304
H11	4.1150	4.5271	4.8684	2.7699	4.4372	5.2901	4.9796	3.3124	3.7449	1.1030		1.7915	1.7838	2.1793
H12	4.4831	5.1753	5.1742	3.4117	4.2447	4.8699	4.8701	2.7739	2.7309	1.0999	1.7915		1.7915	2.1675
H13	4.1143	4.8677	4.5259	2.7689	4.4375	4.9808	5.2900	3.3131	3.7461	1.1030	1.7838	1.7915		2.1793
C14	2.3159	3.0658	3.0653	1.4247	2.3598	3.1222	3.1219	1.3485	2.1804	1.5304	2.1793	2.1675	2.1793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	104.796	C1	C5	H6	111.349
C1	C5	H7	111.351	C1	C5	C8	101.336
H2	C1	H3	108.136	H2	C1	O4	107.896
H2	C1	C5	112.212	H3	C1	O4	107.896
H3	C1	C5	112.203	O4	C1	C5	108.326
O4	C14	C8	115.690	O4	C14	C10	114.187
C5	C8	H9	123.852	C5	C8	C14	109.852
H6	C5	H7	107.496	H6	C5	C8	112.667
H7	C5	C8	112.661	C8	C14	C10	130.122
H9	C8	C14	126.297	H11	C10	H12	108.827
H11	C10	H13	107.924	H11	C10	C14	110.649
H12	C10	H13	108.829	H12	C10	C14	109.905
H13	C10	C14	110.648

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

using model chemistry: B3LYP/STO-3G

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	-0.047
2	H	0.079
3	H	0.079
4	O	-0.176
5	C	-0.142
6	H	0.076
7	H	0.076
8	C	-0.133
9	H	0.072
10	C	-0.229
11	H	0.089
12	H	0.088
13	H	0.089
14	C	0.080

	x	y	z	Total
	0.340	0.469	-0.000	0.579
CHELPG
AIM
ESP

	x	y	z
x	5.856	0.263	0.000
y	0.263	5.102	0.000
z	0.000	0.000	2.754

<r²>	160.796
(<r²>)^1/2	12.681

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

using model chemistry: B3LYP/STO-3G

States and conformations

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