Molecule SMILES: CN(CC([O-])=O)C(N)=[NH2+]
Rotational constants A, B, C (GHz): 2.8246, 1.20291, 0.93333
Dipole moment mu (Debye): 7.5986
Isotropic polarizability alpha (Bohr^3): 70.81
HOMO energy (Hartree): -0.2275
LUMO energy (Hartree): 0.028
HOMO-LUMO gap (Hartree): 0.2555
Electronic spatial extent r2 (Bohr^2): 1248.4773
Zero-point vibrational energy (Hartree): 0.147731
Internal energy at 0 K (Hartree): -472.449725
Internal energy at 298.15 K (Hartree): -472.440212
Enthalpy at 298.15 K (Hartree): -472.439268
Free energy at 298.15 K (Hartree): -472.484553
Heat capacity at 298.15 K (cal/mol K): 34.452
Atomization energy at 0 K (kcal/mol): -1681.3720874511
Atomization energy at 298.15 K (kcal/mol): -1691.399053762
Atomization enthalpy at 298.15 K (kcal/mol): -1701.4749657751
Atomization free energy at 298.15 K (kcal/mol): -1559.477209183