Molecule SMILES: O=CC1OC1CC1CC1
Rotational constants A, B, C (GHz): 4.03312, 0.77249, 0.72376
Dipole moment mu (Debye): 2.76
Isotropic polarizability alpha (Bohr^3): 77.5
HOMO energy (Hartree): -0.2594
LUMO energy (Hartree): -0.0402
HOMO-LUMO gap (Hartree): 0.2192
Electronic spatial extent r2 (Bohr^2): 1588.1996
Zero-point vibrational energy (Hartree): 0.15729
Internal energy at 0 K (Hartree): -422.99628
Internal energy at 298.15 K (Hartree): -422.987159
Enthalpy at 298.15 K (Hartree): -422.986215
Free energy at 298.15 K (Hartree): -423.031543
Heat capacity at 298.15 K (cal/mol K): 32.86
Atomization energy at 0 K (kcal/mol): -1842.9864028921
Atomization energy at 298.15 K (kcal/mol): -1854.149788002
Atomization enthalpy at 298.15 K (kcal/mol): -1864.81869602
Atomization free energy at 298.15 K (kcal/mol): -1715.60333091