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

All data (experiment and calculated) in the CCCBDB for NS+ (nitrogen sulfide cation)

INChI
InChI=1S/NS/c1-2/q+1

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   245  
Energy 298.15K   11  
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   239  
HOMO-LUMO Energies HOMO energies   240  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x239  
Internal Coordinates bond lengths bond angles x239x
Products of moments of inertia moments of inertia  231 
Rotational Constants rotational constants  239 
Point Group  240 
Vibrations Vibrational Frequencies vibrations x239x
Vibrational Intensities  225 
Zero-point energies x239x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  141 
Quadrupole quadrupole  139 
Polarizability polarizability  143 
Other results Spin   1  
Number of basis functions   35  
Diagnostics   1  
Conformations   1