Molecule SMILES: CC1OCCOC1C
Rotational constants A, B, C (GHz): 2.80686, 2.10261, 1.47819
Dipole moment mu (Debye): 0.2107
Isotropic polarizability alpha (Bohr^3): 70.86
HOMO energy (Hartree): -0.2311
LUMO energy (Hartree): 0.0867
HOMO-LUMO gap (Hartree): 0.3178
Electronic spatial extent r2 (Bohr^2): 933.1729
Zero-point vibrational energy (Hartree): 0.17778
Internal energy at 0 K (Hartree): -386.146049
Internal energy at 298.15 K (Hartree): -386.138024
Enthalpy at 298.15 K (Hartree): -386.13708
Free energy at 298.15 K (Hartree): -386.177848
Heat capacity at 298.15 K (cal/mol K): 31.112
Atomization energy at 0 K (kcal/mol): -1840.4732293471
Atomization energy at 298.15 K (kcal/mol): -1853.212289556
Atomization enthalpy at 298.15 K (kcal/mol): -1864.474821088
Atomization free energy at 298.15 K (kcal/mol): -1706.672622822