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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C4H8O (Furan, tetrahydro-)

Other names
Butane α,δ-oxide; Butane, 1,4-epoxy-; Butylene Oxide; Cyclotetramethylene oxide; Diethylene oxide; Furan, tetrahydro-; Furanidine; Hydrofuran; NCI-C60560; Oxacyclopentane; Oxolane; Rcra waste number U213; Tetrahydrofuraan; Tetrahydrofuran; Tetrahydrofuranne; Tetraidrofurano; Tetramethylene oxide; THF; UN 2056;
INChI
InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H2

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies		 Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   225  
Energy 298.15K   211  
Atomization Enthalpy 298.15K x196x
Atomization Enthalpy 0K x199x
Entropy (298.15K) entropy x193x
Entropy at any temperature   193  
Integrated Heat Capacity integrated heat capacity x192x
Heat Capacity (Cp) Heat capacity x192x
Nuclear Repulsion Energy   206  
HOMO-LUMO Energies HOMO energies   203  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  184  
Internal Coordinates bond lengths bond angles x184x
Products of moments of inertia moments of inertia x200x
Rotational Constants rotational constants x203x
Point Group  204 
Vibrations Vibrational Frequencies vibrations x200x
Vibrational Intensities  200 
Zero-point energies x200x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   150  
Dipole dipole x152x
Quadrupole quadrupole  147 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   4  
Conformations   1