Molecule SMILES: CCN1CC1(C)C
Rotational constants A, B, C (GHz): 4.77351, 1.65895, 1.51298
Dipole moment mu (Debye): 1.0894
Isotropic polarizability alpha (Bohr^3): 72.35
HOMO energy (Hartree): -0.219
LUMO energy (Hartree): 0.0873
HOMO-LUMO gap (Hartree): 0.3063
Electronic spatial extent r2 (Bohr^2): 934.0888
Zero-point vibrational energy (Hartree): 0.181313
Internal energy at 0 K (Hartree): -291.024232
Internal energy at 298.15 K (Hartree): -291.015563
Enthalpy at 298.15 K (Hartree): -291.014619
Free energy at 298.15 K (Hartree): -291.056693
Heat capacity at 298.15 K (cal/mol K): 31.966
Atomization energy at 0 K (kcal/mol): -1792.28493071
Atomization energy at 298.15 K (kcal/mol): -1804.619875123
Atomization enthalpy at 298.15 K (kcal/mol): -1815.883034164
Atomization free energy at 298.15 K (kcal/mol): -1661.545313087