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	hartrees
Energy at 0K	-230.653414
Energy at 298.15K	-230.660704
HF Energy	-229.813032
Nuclear repulsion energy	174.768913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3322	3137	2.56
2	A	3286	3103	2.63
3	A	3196	3019	21.78
4	A	3166	2990	12.48
5	A	3103	2931	37.33
6	A	3099	2927	25.96
7	A	1674	1581	43.88
8	A	1539	1454	0.34
9	A	1516	1432	0.35
10	A	1422	1343	2.62
11	A	1345	1271	2.07
12	A	1315	1242	5.02
13	A	1261	1191	13.47
14	A	1231	1163	19.45
15	A	1180	1115	50.94
16	A	1108	1047	29.12
17	A	1085	1025	10.77
18	A	1030	973	7.43
19	A	969	915	15.37
20	A	962	908	28.70
21	A	923	872	4.03
22	A	864	816	4.09
23	A	840	793	6.61
24	A	730	689	30.62
25	A	663	626	0.58
26	A	455	430	19.35
27	A	161	152	1.56

Atom	x (Å)	y (Å)	z (Å)
H1	0.800	2.171	0.132
C2	0.435	1.159	0.072
H3	2.267	-0.048	0.033
C4	1.192	0.060	0.013
O5	0.512	-1.116	-0.112
H6	-1.373	0.982	-1.104
H7	-1.688	1.186	0.621
C8	-1.005	0.737	-0.102
H9	-1.479	-1.388	-0.551
H10	-1.108	-1.038	1.156
C11	-0.874	-0.779	0.119

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0776	2.6617	2.1507	3.3089	2.7679	2.7197	2.3170	4.2808	3.8714	3.3919
C2	1.0776		2.1937	1.3357	2.2838	2.1641	2.1926	1.5108	3.2463	2.8953	2.3391
H3	2.6617	2.1937		1.0806	2.0597	3.9498	4.1839	3.3676	4.0213	3.6923	3.2259
C4	2.1507	1.3357	1.0806		1.3641	2.9458	3.1509	2.3020	3.0901	2.7928	2.2320
O5	3.3089	2.2838	2.0597	1.3641		2.9901	3.2674	2.3953	2.0572	2.0589	1.4449
H6	2.7679	2.1641	3.9498	2.9458	2.9901		1.7653	1.0947	2.4358	3.0426	2.2014
H7	2.7197	2.1926	4.1839	3.1509	3.2674	1.7653		1.0910	2.8358	2.3595	2.1854
C8	2.3170	1.5108	3.3676	2.3020	2.3953	1.0947	1.0910		2.2230	2.1783	1.5380
H9	4.2808	3.2463	4.0213	3.0901	2.0572	2.4358	2.8358	2.2230		1.7816	1.0890
H10	3.8714	2.8953	3.6923	2.7928	2.0589	3.0426	2.3595	2.1783	1.7816		1.0943
C11	3.3919	2.3391	3.2259	2.2320	1.4449	2.2014	2.1854	1.5380	1.0890	1.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.707	H1	C2	C8	126.240
C2	C4	H3	130.135	C2	C4	O5	115.538
C2	C8	H6	111.315	C2	C8	H7	113.886
C2	C8	C11	100.204	H3	C4	O5	114.317
C4	C2	C8	107.783	C4	O5	C11	105.196
O5	C11	C8	106.796	O5	C11	H9	107.732
O5	C11	H10	107.553	H6	C8	H7	107.732
H6	C8	C11	112.381	H7	C8	C11	111.316
C8	C11	H9	114.526	C8	C11	H10	110.561
H9	C11	H10	109.382

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: MP2/6-31G(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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All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)