Molecule SMILES: C1CCCOCC1
Rotational constants A, B, C (GHz): 3.30587, 3.00815, 1.80395
Dipole moment mu (Debye): 1.207
Isotropic polarizability alpha (Bohr^3): 67.02
HOMO energy (Hartree): -0.2417
LUMO energy (Hartree): 0.0826
HOMO-LUMO gap (Hartree): 0.3242
Electronic spatial extent r2 (Bohr^2): 759.3113
Zero-point vibrational energy (Hartree): 0.174453
Internal energy at 0 K (Hartree): -310.927566
Internal energy at 298.15 K (Hartree): -310.920789
Enthalpy at 298.15 K (Hartree): -310.919845
Free energy at 298.15 K (Hartree): -310.958017
Heat capacity at 298.15 K (cal/mol K): 26.296
Atomization energy at 0 K (kcal/mol): -1743.8970842111
Atomization energy at 298.15 K (kcal/mol): -1756.5307229081
Atomization enthalpy at 298.15 K (kcal/mol): -1767.200885944
Atomization free energy at 298.15 K (kcal/mol): -1618.633737631