Molecule SMILES: O=C1CC2CCC12
Rotational constants A, B, C (GHz): 5.16742, 2.51051, 2.01118
Dipole moment mu (Debye): 2.8976
Isotropic polarizability alpha (Bohr^3): 60.63
HOMO energy (Hartree): -0.2371
LUMO energy (Hartree): -0.019
HOMO-LUMO gap (Hartree): 0.2181
Electronic spatial extent r2 (Bohr^2): 666.417
Zero-point vibrational energy (Hartree): 0.125672
Internal energy at 0 K (Hartree): -308.51084
Internal energy at 298.15 K (Hartree): -308.504739
Enthalpy at 298.15 K (Hartree): -308.503795
Free energy at 298.15 K (Hartree): -308.5411
Heat capacity at 298.15 K (cal/mol K): 23.079
Atomization energy at 0 K (kcal/mol): -1483.083008505
Atomization energy at 298.15 K (kcal/mol): -1492.58663231
Atomization enthalpy at 298.15 K (kcal/mol): -1500.884811326
Atomization free energy at 298.15 K (kcal/mol): -1384.44173125