Molecule SMILES: N
Rotational constants A, B, C (GHz): 293.60975, 293.54111, 191.39397
Dipole moment mu (Debye): 1.6256
Isotropic polarizability alpha (Bohr^3): 9.46
HOMO energy (Hartree): -0.257
LUMO energy (Hartree): 0.0829
HOMO-LUMO gap (Hartree): 0.3399
Electronic spatial extent r2 (Bohr^2): 26.1563
Zero-point vibrational energy (Hartree): 0.034358
Internal energy at 0 K (Hartree): -56.525887
Internal energy at 298.15 K (Hartree): -56.523026
Enthalpy at 298.15 K (Hartree): -56.522082
Free energy at 298.15 K (Hartree): -56.544961
Heat capacity at 298.15 K (cal/mol K): 6.316
Atomization energy at 0 K (kcal/mol): -276.861363363
Atomization energy at 298.15 K (kcal/mol): -278.62027109
Atomization enthalpy at 298.15 K (kcal/mol): -280.399259105
Atomization free energy at 298.15 K (kcal/mol): -259.338802047