Molecule SMILES: CC1CC1(C)C(C)(C)C
Rotational constants A, B, C (GHz): 2.32289, 1.18284, 1.11309
Dipole moment mu (Debye): 0.1087
Isotropic polarizability alpha (Bohr^3): 95.36
HOMO energy (Hartree): -0.2548
LUMO energy (Hartree): 0.0757
HOMO-LUMO gap (Hartree): 0.3305
Electronic spatial extent r2 (Bohr^2): 1362.0412
Zero-point vibrational energy (Hartree): 0.249458
Internal energy at 0 K (Hartree): -353.557284
Internal energy at 298.15 K (Hartree): -353.546013
Enthalpy at 298.15 K (Hartree): -353.545069
Free energy at 298.15 K (Hartree): -353.592433
Heat capacity at 298.15 K (cal/mol K): 44.026
Atomization energy at 0 K (kcal/mol): -2467.002687798
Atomization energy at 298.15 K (kcal/mol): -2483.9266055281
Atomization enthalpy at 298.15 K (kcal/mol): -2499.339481586
Atomization free energy at 298.15 K (kcal/mol): -2286.5762800461