Molecule SMILES: O=C1CNC2COC12
Rotational constants A, B, C (GHz): 3.43489, 2.25054, 1.61387
Dipole moment mu (Debye): 3.3484
Isotropic polarizability alpha (Bohr^3): 59.97
HOMO energy (Hartree): -0.2205
LUMO energy (Hartree): -0.0362
HOMO-LUMO gap (Hartree): 0.1843
Electronic spatial extent r2 (Bohr^2): 788.6011
Zero-point vibrational energy (Hartree): 0.120705
Internal energy at 0 K (Hartree): -399.782407
Internal energy at 298.15 K (Hartree): -399.775859
Enthalpy at 298.15 K (Hartree): -399.774915
Free energy at 298.15 K (Hartree): -399.813435
Heat capacity at 298.15 K (cal/mol K): 24.612
Atomization energy at 0 K (kcal/mol): -1464.365670053
Atomization energy at 298.15 K (kcal/mol): -1473.5881698261
Atomization enthalpy at 298.15 K (kcal/mol): -1481.885721333
Atomization free energy at 298.15 K (kcal/mol): -1363.2005516001