Molecule SMILES: C1CN1CCC(=O)CO
Rotational constants A, B, C (GHz): 5.89006, 0.60383, 0.57169
Dipole moment mu (Debye): 2.7566
Isotropic polarizability alpha (Bohr^3): 76.95
HOMO energy (Hartree): -0.241
LUMO energy (Hartree): -0.0258
HOMO-LUMO gap (Hartree): 0.2152
Electronic spatial extent r2 (Bohr^2): 1922.5483
Zero-point vibrational energy (Hartree): 0.168711
Internal energy at 0 K (Hartree): -440.264981
Internal energy at 298.15 K (Hartree): -440.255052
Enthalpy at 298.15 K (Hartree): -440.254108
Free energy at 298.15 K (Hartree): -440.301722
Heat capacity at 298.15 K (cal/mol K): 34.964
Atomization energy at 0 K (kcal/mol): -1862.6519074431
Atomization energy at 298.15 K (kcal/mol): -1874.196190516
Atomization enthalpy at 298.15 K (kcal/mol): -1885.458094539
Atomization free energy at 298.15 K (kcal/mol): -1729.202705958