Molecule SMILES: CC(=O)OC1(CC1)C
Rotational constants A, B, C (GHz): 3.76826, 1.43289, 1.3419
Dipole moment mu (Debye): 1.6576
Isotropic polarizability alpha (Bohr^3): 68.38
HOMO energy (Hartree): -0.2602
LUMO energy (Hartree): 0.0168
HOMO-LUMO gap (Hartree): 0.277
Electronic spatial extent r2 (Bohr^2): 1021.0059
Zero-point vibrational energy (Hartree): 0.150956
Internal energy at 0 K (Hartree): -384.970718
Internal energy at 298.15 K (Hartree): -384.961752
Enthalpy at 298.15 K (Hartree): -384.960808
Free energy at 298.15 K (Hartree): -385.004659
Heat capacity at 298.15 K (cal/mol K): 32.177
Atomization energy at 0 K (kcal/mol): -1730.794068782
Atomization energy at 298.15 K (kcal/mol): -1741.165537534
Atomization enthalpy at 298.15 K (kcal/mol): -1751.242077056
Atomization free energy at 298.15 K (kcal/mol): -1611.708548307