Molecule SMILES: CC1(CC(C1)N2CC2)C
Rotational constants A, B, C (GHz): 3.90113, 0.86414, 0.85915
Dipole moment mu (Debye): 0.9825
Isotropic polarizability alpha (Bohr^3): 91.01
HOMO energy (Hartree): -0.2285
LUMO energy (Hartree): 0.0822
HOMO-LUMO gap (Hartree): 0.3107
Electronic spatial extent r2 (Bohr^2): 1524.481
Zero-point vibrational energy (Hartree): 0.216427
Internal energy at 0 K (Hartree): -368.38014
Internal energy at 298.15 K (Hartree): -368.37048
Enthalpy at 298.15 K (Hartree): -368.369536
Free energy at 298.15 K (Hartree): -368.414575
Heat capacity at 298.15 K (cal/mol K): 37.442
Atomization energy at 0 K (kcal/mol): -2207.581682072
Atomization energy at 298.15 K (kcal/mol): -2222.8502310601
Atomization enthalpy at 298.15 K (kcal/mol): -2236.484119103
Atomization free energy at 298.15 K (kcal/mol): -2046.4555686331