Molecule SMILES: CC1OCC1C(C)(C)C
Rotational constants A, B, C (GHz): 2.34365, 1.2489, 1.05245
Dipole moment mu (Debye): 1.8209
Isotropic polarizability alpha (Bohr^3): 87.88
HOMO energy (Hartree): -0.2389
LUMO energy (Hartree): 0.0648
HOMO-LUMO gap (Hartree): 0.3036
Electronic spatial extent r2 (Bohr^2): 1321.007
Zero-point vibrational energy (Hartree): 0.226901
Internal energy at 0 K (Hartree): -389.480632
Internal energy at 298.15 K (Hartree): -389.470009
Enthalpy at 298.15 K (Hartree): -389.469065
Free energy at 298.15 K (Hartree): -389.51585
Heat capacity at 298.15 K (cal/mol K): 40.364
Atomization energy at 0 K (kcal/mol): -2282.5696350811
Atomization energy at 298.15 K (kcal/mol): -2298.122445646
Atomization enthalpy at 298.15 K (kcal/mol): -2312.349329694
Atomization free energy at 298.15 K (kcal/mol): -2115.30146355