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	hartrees
Energy at 0K	-268.900619
Energy at 298.15K	-268.910142
Nuclear repulsion energy	239.820037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3380	3071	6.10
2	A	3263	2965	24.24
3	A	3257	2959	60.80
4	A	3229	2933	23.62
5	A	3205	2912	85.71
6	A	3186	2895	25.58
7	A	3174	2884	27.71
8	A	3158	2869	66.00
9	A	1880	1708	88.13
10	A	1653	1502	0.29
11	A	1625	1476	0.45
12	A	1605	1458	3.80
13	A	1589	1443	7.23
14	A	1549	1407	29.30
15	A	1528	1388	3.88
16	A	1447	1315	9.95
17	A	1383	1257	60.09
18	A	1362	1238	5.82
19	A	1317	1196	12.48
20	A	1307	1187	61.77
21	A	1175	1067	0.47
22	A	1163	1056	15.01
23	A	1156	1050	50.49
24	A	1102	1001	7.03
25	A	1060	963	13.70
26	A	1000	909	46.86
27	A	982	892	11.22
28	A	922	838	6.04
29	A	839	763	33.12
30	A	765	695	0.36
31	A	669	608	1.33
32	A	617	561	1.35
33	A	357	324	2.67
34	A	245	223	6.89
35	A	195	177	2.75
36	A	107	97	2.33

Atom	x (Å)	y (Å)	z (Å)
C1	-1.351	-0.815	0.079
H2	-1.888	-1.386	-0.666
H3	-1.645	-1.161	1.064
O4	0.039	-1.073	-0.080
C5	-1.529	0.710	-0.058
H6	-2.162	1.108	0.728
H7	-1.979	0.987	-1.009
C8	-0.092	1.164	0.038
H9	0.235	2.183	0.083
C10	2.182	-0.005	0.010
H11	2.520	-0.508	-0.890
H12	2.644	0.973	0.064
H13	2.503	-0.598	0.860
C14	0.698	0.110	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0813	1.0847	1.4228	1.5412	2.1856	2.1965	2.3458	3.3918	3.6256	4.0024	4.3764	3.9385	2.2492
H2	1.0813		1.7612	2.0383	2.2115	2.8702	2.3993	3.1972	4.2196	4.3509	4.5000	5.1604	4.7149	3.0600
H3	1.0847	1.7612		2.0382	2.1848	2.3513	3.0037	2.9786	3.9604	4.1352	4.6472	4.8940	4.1916	2.8707
O4	1.4228	2.0383	2.0382		2.3741	3.2023	3.0296	2.2436	3.2656	2.3962	2.6702	3.3149	2.6797	1.3556
C5	1.5412	2.2115	2.1848	2.3741		1.0855	1.0878	1.5098	2.3026	3.7798	4.3094	4.1822	4.3372	2.3069
H6	2.1856	2.8702	2.3513	3.2023	1.0855		1.7508	2.1830	2.7059	4.5419	5.2114	4.8533	4.9694	3.1161
H7	2.1965	2.3993	3.0037	3.0296	1.0878	1.7508		2.1651	2.7431	4.3975	4.7428	4.7452	5.1085	2.9919
C8	2.3458	3.1972	2.9786	2.2436	1.5098	2.1830	2.1651		1.0713	2.5572	3.2378	2.7422	3.2430	1.3182
H9	3.3918	4.2196	3.9604	3.2656	2.3026	2.7059	2.7431	1.0713		2.9294	3.6622	2.6949	3.6720	2.1261
C10	3.6256	4.3509	4.1352	2.3962	3.7798	4.5419	4.3975	2.5572	2.9294		1.0857	1.0826	1.0856	1.4888
H11	4.0024	4.5000	4.6472	2.6702	4.3094	5.2114	4.7428	3.2378	3.6622	1.0857		1.7668	1.7530	2.1197
H12	4.3764	5.1604	4.8940	3.3149	4.1822	4.8533	4.7452	2.7422	2.6949	1.0826	1.7668		1.7676	2.1296
H13	3.9385	4.7149	4.1916	2.6797	4.3372	4.9694	5.1085	3.2430	3.6720	1.0856	1.7530	1.7676		2.1219
C14	2.2492	3.0600	2.8707	1.3556	2.3069	3.1161	2.9919	1.3182	2.1261	1.4888	2.1197	2.1296	2.1219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	108.079	C1	C5	H6	111.445
C1	C5	H7	112.184	C1	C5	C8	100.497
H2	C1	H3	108.798	H2	C1	O4	108.202
H2	C1	C5	113.819	H3	C1	O4	107.993
H3	C1	C5	111.429	O4	C1	C5	106.377
O4	C14	C8	114.086	O4	C14	C10	114.714
C5	C8	H9	125.421	C5	C8	C14	109.134
H6	C5	H7	107.339	H6	C5	C8	113.519
H7	C5	C8	111.894	C8	C14	C10	131.196
H9	C8	C14	125.382	H11	C10	H12	109.144
H11	C10	H13	107.675	H11	C10	C14	109.851
H12	C10	H13	109.229	H12	C10	C14	110.842
H13	C10	C14	110.036

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

using model chemistry: HF/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
1	C	0.095
2	H	0.096
3	H	0.093
4	O	-0.469
5	C	-0.176
6	H	0.105
7	H	0.106
8	C	-0.296
9	H	0.091
10	C	-0.170
11	H	0.111
12	H	0.100
13	H	0.111
14	C	0.206

	x	y	z	Total
	-0.396	0.760	0.142	0.869
CHELPG
AIM
ESP

	x	y	z
x	9.438	-0.696	0.007
y	-0.696	8.243	-0.003
z	0.007	-0.003	5.972

<r²>	154.568
(<r²>)^1/2	12.433

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

using model chemistry: HF/6-311G**

States and conformations

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