Molecule SMILES: CC(=N)N(C=N)C(=N)C
Rotational constants A, B, C (GHz): 2.04728, 1.5825, 1.00381
Dipole moment mu (Debye): 4.1036
Isotropic polarizability alpha (Bohr^3): 81.81
HOMO energy (Hartree): -0.241
LUMO energy (Hartree): -0.0223
HOMO-LUMO gap (Hartree): 0.2187
Electronic spatial extent r2 (Bohr^2): 1220.4593
Zero-point vibrational energy (Hartree): 0.158666
Internal energy at 0 K (Hartree): -415.396167
Internal energy at 298.15 K (Hartree): -415.386313
Enthalpy at 298.15 K (Hartree): -415.385369
Free energy at 298.15 K (Hartree): -415.431358
Heat capacity at 298.15 K (cal/mol K): 35.554
Atomization energy at 0 K (kcal/mol): -1772.168874697
Atomization energy at 298.15 K (kcal/mol): -1782.871040692
Atomization enthalpy at 298.15 K (kcal/mol): -1793.53994871
Atomization free energy at 298.15 K (kcal/mol): -1644.020241735