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

All data (experiment and calculated) in the CCCBDB for HNS- (HNS-)


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   284  
Energy 298.15K   7  
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   283  
HOMO-LUMO Energies HOMO energies   283  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  283  
Internal Coordinates bond lengths bond angles  282 
Products of moments of inertia moments of inertia  274 
Rotational Constants rotational constants  279 
Point Group  284 
Vibrations Vibrational Frequencies vibrations  279 
Vibrational Intensities  247 
Zero-point energies  279 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   168  
Dipole dipole  232 
Quadrupole quadrupole  206 
Polarizability polarizability  154 
Other results Spin   281  
Number of basis functions   53  
Diagnostics   0  
Conformations   1