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	hartrees
Energy at 0K	-229.027485
Energy at 298.15K	-229.034533
HF Energy	-228.508759
Nuclear repulsion energy	170.307277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3154	6.41
2	A	3224	3125	0.86
3	A	3118	3022	40.98
4	A	3081	2986	5.30
5	A	3069	2974	36.16
6	A	3047	2953	25.09
7	A	1662	1610	21.23
8	A	1587	1538	0.05
9	A	1566	1517	0.56
10	A	1401	1358	1.23
11	A	1340	1299	11.34
12	A	1315	1275	9.77
13	A	1285	1246	0.87
14	A	1212	1175	1.74
15	A	1190	1153	13.79
16	A	1091	1058	0.14
17	A	1037	1005	72.21
18	A	967	937	2.90
19	A	910	882	2.34
20	A	902	874	8.94
21	A	882	855	30.21
22	A	851	825	1.88
23	A	824	798	0.82
24	A	736	713	40.79
25	A	702	680	3.65
26	A	440	426	24.75
27	A	54	52	2.69

Atom	x (Å)	y (Å)	z (Å)
H1	1.148	2.045	0.001
C2	0.642	1.088	-0.000
H3	2.279	-0.384	-0.000
C4	1.230	-0.116	0.000
O5	0.347	-1.231	0.000
H6	-1.350	1.370	-0.893
H7	-1.350	1.369	0.893
C8	-0.891	0.924	0.000
H9	-1.555	-1.016	-0.899
H10	-1.555	-1.016	0.899
C11	-1.046	-0.650	-0.000

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0829	2.6800	2.1633	3.3727	2.7384	2.7375	2.3267	4.1816	4.1815	3.4760
C2	1.0829		2.2020	1.3402	2.3375	2.2012	2.2010	1.5412	3.1715	3.1720	2.4233
H3	2.6800	2.2020		1.0833	2.1101	4.1289	4.1282	3.4293	3.9883	3.9886	3.3362
C4	2.1633	1.3402	1.0833		1.4219	3.1084	3.1077	2.3618	3.0610	3.0612	2.3377
O5	3.3727	2.3375	2.1101	1.4219		3.2307	3.2301	2.4847	2.1140	2.1141	1.5088
H6	2.7384	2.2012	4.1289	3.1084	3.2307		1.7862	1.0986	2.3939	2.9902	2.2292
H7	2.7375	2.2010	4.1282	3.1077	3.2301	1.7862		1.0986	2.9905	2.3938	2.2291
C8	2.3267	1.5412	3.4293	2.3618	2.4847	1.0986	1.0986		2.2390	2.2390	1.5823
H9	4.1816	3.1715	3.9883	3.0610	2.1140	2.3939	2.9905	2.2390		1.7981	1.0956
H10	4.1815	3.1720	3.9886	3.0612	2.1141	2.9902	2.3938	2.2390	1.7981		1.0956
C11	3.4760	2.4233	3.3362	2.3377	1.5088	2.2292	2.2291	1.5823	1.0956	1.0956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.115	H1	C2	C8	123.977
C2	C4	H3	130.330	C2	C4	O5	115.588
C2	C8	H6	111.900	C2	C8	H7	111.879
C2	C8	C11	101.751	H3	C4	O5	114.082
C4	C2	C8	109.907	C4	O5	C11	105.781
O5	C11	C8	106.972	O5	C11	H9	107.465
O5	C11	H10	107.472	H6	C8	H7	108.773
H6	C8	C11	111.228	H7	C8	C11	111.219
C8	C11	H9	112.181	C8	C11	H10	112.186
H9	C11	H10	110.284

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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