return to home page

I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for NNS (Nitrogen sulfide)

Other names
Dinitrogen-N-sulfide; Nitrous sulfide;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   394  
Energy 298.15K   10  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   395  
HOMO-LUMO Energies HOMO energies   395  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  395  
Internal Coordinates bond lengths bond angles  395 
Products of moments of inertia moments of inertia  387 
Rotational Constants rotational constants  395 
Point Group  396 
Vibrations Vibrational Frequencies vibrations x394x
Vibrational Intensities  347 
Zero-point energies  394 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   225  
Dipole dipole  301 
Quadrupole quadrupole  266 
Polarizability polarizability  225 
Other results Spin   0  
Number of basis functions   33  
Diagnostics   0  
Conformations   1