Molecule SMILES: CN(C=[NH2+])C(=N)C([O-])=O
Rotational constants A, B, C (GHz): 3.33361, 1.09405, 0.84977
Dipole moment mu (Debye): 13.1541
Isotropic polarizability alpha (Bohr^3): 71.19
HOMO energy (Hartree): -0.1989
LUMO energy (Hartree): -0.0746
HOMO-LUMO gap (Hartree): 0.1243
Electronic spatial extent r2 (Bohr^2): 1293.6552
Zero-point vibrational energy (Hartree): 0.123369
Internal energy at 0 K (Hartree): -471.210465
Internal energy at 298.15 K (Hartree): -471.201103
Enthalpy at 298.15 K (Hartree): -471.200159
Free energy at 298.15 K (Hartree): -471.245507
Heat capacity at 298.15 K (cal/mol K): 33.249
Atomization energy at 0 K (kcal/mol): -1531.576904025
Atomization energy at 298.15 K (kcal/mol): -1539.921518707
Atomization enthalpy at 298.15 K (kcal/mol): -1548.81143871
Atomization free energy at 298.15 K (kcal/mol): -1423.187274455