Molecule SMILES: C(COC(=O)CN)O
Rotational constants A, B, C (GHz): 5.32474, 0.90844, 0.8132
Dipole moment mu (Debye): 1.0122
Isotropic polarizability alpha (Bohr^3): 61.71
HOMO energy (Hartree): -0.251
LUMO energy (Hartree): 0.0081
HOMO-LUMO gap (Hartree): 0.2591
Electronic spatial extent r2 (Bohr^2): 1382.5172
Zero-point vibrational energy (Hartree): 0.140987
Internal energy at 0 K (Hartree): -438.155556
Internal energy at 298.15 K (Hartree): -438.146022
Enthalpy at 298.15 K (Hartree): -438.145078
Free energy at 298.15 K (Hartree): -438.191539
Heat capacity at 298.15 K (cal/mol K): 32.071
Atomization energy at 0 K (kcal/mol): -1561.501553217
Atomization energy at 298.15 K (kcal/mol): -1570.626789095
Atomization enthalpy at 298.15 K (kcal/mol): -1580.110332612
Atomization free energy at 298.15 K (kcal/mol): -1449.818756415