Molecule SMILES: C(C(=O)C(=N)N)O
Rotational constants A, B, C (GHz): 5.24329, 1.86723, 1.39002
Dipole moment mu (Debye): 2.3341
Isotropic polarizability alpha (Bohr^3): 52.59
HOMO energy (Hartree): -0.2492
LUMO energy (Hartree): -0.0519
HOMO-LUMO gap (Hartree): 0.1973
Electronic spatial extent r2 (Bohr^2): 813.3809
Zero-point vibrational energy (Hartree): 0.100397
Internal energy at 0 K (Hartree): -377.78436
Internal energy at 298.15 K (Hartree): -377.776505
Enthalpy at 298.15 K (Hartree): -377.77556
Free energy at 298.15 K (Hartree): -377.8165
Heat capacity at 298.15 K (cal/mol K): 27.371
Atomization energy at 0 K (kcal/mol): -1220.835074734
Atomization energy at 298.15 K (kcal/mol): -1227.459059738
Atomization enthalpy at 298.15 K (kcal/mol): -1234.570619235
Atomization free energy at 298.15 K (kcal/mol): -1135.872238661