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	hartrees
Energy at 0K	-270.220210
Energy at 298.15K	-270.229168
Nuclear repulsion energy	236.955172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3151	3.93
2	A	3087	3055	10.33
3	A	3035	3004	35.30
4	A	3034	3003	9.88
5	A	2996	2965	34.44
6	A	2976	2945	22.91
7	A	2958	2928	46.49
8	A	2938	2908	51.24
9	A	1685	1668	48.42
10	A	1465	1450	0.38
11	A	1443	1429	0.37
12	A	1438	1423	3.70
13	A	1419	1404	6.63
14	A	1368	1354	26.45
15	A	1352	1338	1.07
16	A	1274	1261	11.46
17	A	1225	1213	42.05
18	A	1214	1201	5.28
19	A	1171	1159	24.27
20	A	1165	1153	4.89
21	A	1042	1031	0.35
22	A	1019	1008	3.91
23	A	1000	989	39.71
24	A	999	989	6.38
25	A	958	948	22.39
26	A	920	911	9.50
27	A	892	883	19.00
28	A	825	817	2.96
29	A	695	687	18.57
30	A	678	671	3.96
31	A	622	616	0.79
32	A	541	535	1.36
33	A	323	320	1.87
34	A	217	215	6.16
35	A	159	158	1.44
36	A	101	100	0.94

Atom	x (Å)	y (Å)	z (Å)
C1	-1.361	-0.819	0.083
H2	-1.909	-1.412	-0.665
H3	-1.656	-1.166	1.090
O4	0.056	-1.100	-0.082
C5	-1.542	0.712	-0.066
H6	-2.205	1.118	0.717
H7	-1.993	0.990	-1.038
C8	-0.108	1.178	0.047
H9	0.215	2.216	0.086
C10	2.195	0.009	0.008
H11	2.554	-0.502	-0.902
H12	2.650	1.007	0.055
H13	2.546	-0.584	0.869
C14	0.708	0.110	0.002

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.1009	1.1054	1.4539	1.5489	2.2063	2.2198	2.3586	3.4204	3.6515	4.0492	4.4078	3.9921	2.2690
H2	1.1009		1.7909	2.0736	2.2372	2.8982	2.4316	3.2347	4.2709	4.3948	4.5612	5.2119	4.7843	3.0998
H3	1.1054	1.7909		2.0757	2.2082	2.3788	3.0481	2.9972	3.9940	4.1686	4.7042	4.9335	4.2474	2.8980
O4	1.4539	2.0736	2.0757		2.4159	3.2666	3.0787	2.2884	3.3248	2.4109	2.6961	3.3456	2.7150	1.3769
C5	1.5489	2.2372	2.2082	2.4159		1.1034	1.1073	1.5122	2.3178	3.8025	4.3526	4.2041	4.3888	2.3293
H6	2.2063	2.8982	2.3788	3.2666	1.1034		1.7727	2.2024	2.7313	4.5920	5.2810	4.9012	5.0486	3.1638
H7	2.2198	2.4316	3.0481	3.0787	1.1073	1.7727		2.1830	2.7642	4.4259	4.7869	4.7699	5.1684	3.0242
C8	2.3586	3.2347	2.9972	2.2884	1.5122	2.2024	2.1830		1.0876	2.5826	3.2875	2.7633	3.2902	1.3449
H9	3.4204	4.2709	3.9940	3.3248	2.3178	2.7313	2.7642	1.0876		2.9662	3.7195	2.7191	3.7272	2.1651
C10	3.6515	4.3948	4.1686	2.4109	3.8025	4.5920	4.4259	2.5826	2.9662		1.1034	1.0988	1.1032	1.4905
H11	4.0492	4.5612	4.7042	2.6961	4.3526	5.2810	4.7869	3.2875	3.7195	1.1034		1.7898	1.7728	2.1445
H12	4.4078	5.2119	4.9335	3.3456	4.2041	4.9012	4.7699	2.7633	2.7191	1.0988	1.7898		1.7911	2.1409
H13	3.9921	4.7843	4.2474	2.7150	4.3888	5.0486	5.1684	3.2902	3.7272	1.1032	1.7728	1.7911		2.1480
C14	2.2690	3.0998	2.8980	1.3769	2.3293	3.1638	3.0242	1.3449	2.1651	1.4905	2.1445	2.1409	2.1480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.521	C1	C5	H6	111.469
C1	C5	H7	112.315	C1	C5	C8	100.796
H2	C1	H3	108.523	H2	C1	O4	107.711
H2	C1	C5	114.126	H3	C1	O4	107.617
H3	C1	C5	111.506	O4	C1	C5	107.091
O4	C14	C8	114.430	O4	C14	C10	114.388
C5	C8	H9	125.341	C5	C8	C14	109.090
H6	C5	H7	106.619	H6	C5	C8	113.792
H7	C5	C8	111.969	C8	C14	C10	131.176
H9	C8	C14	125.433	H11	C10	H12	108.726
H11	C10	H13	106.915	H11	C10	C14	110.652
H12	C10	H13	108.858	H12	C10	C14	110.641
H13	C10	C14	110.940

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.115
2	H	0.122
3	H	0.117
4	O	-0.237
5	C	-0.288
6	H	0.119
7	H	0.118
8	C	-0.266
9	H	0.096
10	C	-0.518
11	H	0.148
12	H	0.142
13	H	0.147
14	C	0.414

	x	y	z	Total
	-0.299	0.509	0.096	0.598
CHELPG
AIM
ESP

	x	y	z
x	10.442	-0.480	0.026
y	-0.480	8.650	-0.011
z	0.026	-0.011	6.172

<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: PBEPBE/6-31G(2df,p)

States and conformations

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