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	hartrees
Energy at 0K	-231.198832
Energy at 298.15K	-231.205976
HF Energy	-231.198832
Nuclear repulsion energy	174.662783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3243	3102	7.65
2	A₁	3010	2879	10.78
3	A₁	1720	1645	0.03
4	A₁	1529	1463	1.76
5	A₁	1409	1348	3.63
6	A₁	1116	1067	1.35
7	A₁	999	956	10.50
8	A₁	942	901	21.24
9	A₁	764	731	6.61
10	A₂	3031	2899	0.00
11	A₂	1240	1186	0.00
12	A₂	1065	1019	0.00
13	A₂	974	932	0.00
14	A₂	389	372	0.00
15	B₁	3033	2901	106.09
16	B₁	1196	1144	2.02
17	B₁	1031	986	22.20
18	B₁	693	663	37.51
19	B₁	80	76	8.44
20	B₂	3217	3078	3.07
21	B₂	3003	2872	153.51
22	B₂	1516	1450	0.48
23	B₂	1381	1321	2.26
24	B₂	1329	1271	0.00
25	B₂	1158	1108	109.83
26	B₂	923	883	0.64
27	B₂	820	784	1.67

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.185
C2	0.000	1.166	0.370
C3	0.000	0.661	-1.041
C4	0.000	-0.661	-1.041
C5	0.000	-1.166	0.370
H6	0.887	1.773	0.595
H7	-0.887	1.773	0.595
H8	-0.887	-1.773	0.595
H9	0.887	-1.773	0.595
H10	0.000	1.308	-1.908
H11	0.000	-1.308	-1.908

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4229	2.3224	2.3224	1.4229	2.0685	2.0685	2.0685	2.0685	3.3586	3.3586
C2	1.4229		1.4988	2.3089	2.3326	1.0981	1.0981	3.0784	3.0784	2.2825	3.3636
C3	2.3224	1.4988		1.3224	2.3089	2.1679	2.1679	3.0641	3.0641	1.0819	2.1520
C4	2.3224	2.3089	1.3224		1.4988	3.0641	3.0641	2.1679	2.1679	2.1520	1.0819
C5	1.4229	2.3326	2.3089	1.4988		3.0784	3.0784	1.0981	1.0981	3.3636	2.2825
H6	2.0685	1.0981	2.1679	3.0641	3.0784		1.7746	3.9650	3.5457	2.6959	4.0678
H7	2.0685	1.0981	2.1679	3.0641	3.0784	1.7746		3.5457	3.9650	2.6959	4.0678
H8	2.0685	3.0784	3.0641	2.1679	1.0981	3.9650	3.5457		1.7746	4.0678	2.6959
H9	2.0685	3.0784	3.0641	2.1679	1.0981	3.5457	3.9650	1.7746		4.0678	2.6959
H10	3.3586	2.2825	1.0819	2.1520	3.3636	2.6959	2.6959	4.0678	4.0678		2.6169
H11	3.3586	3.3636	2.1520	1.0819	2.2825	4.0678	4.0678	2.6959	2.6959	2.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.257	O1	C2	H6	109.597
O1	C2	H7	109.597	O1	C5	C4	105.257
O1	C5	H8	109.597	O1	C5	H9	109.597
C2	O1	C5	110.097	C2	C3	C4	109.694
C2	C3	H10	123.560	C3	C2	H6	112.273
C3	C2	H7	112.273	C3	C4	C5	109.694
C3	C4	H11	126.746	C4	C3	H10	126.746
C4	C5	H8	112.273	C4	C5	H9	112.273
C5	C4	H11	123.560	H6	C2	H7	107.806
H8	C5	H9	107.806

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: wB97X-D/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	O	-0.388
2	C	0.032
3	C	-0.185
4	C	-0.185
5	C	0.032
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.115
10	H	0.118
11	H	0.118

<r²>	93.740
(<r²>)^1/2	9.682

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)