Property 
Experiment 
Calculated 
Comparison 
Energies Entropies 
Enthalpy 298.15K 



Enthalpy 0K 



Energy 0K 

332 

Energy 298.15K 

9 

Atomization Enthalpy 298.15K 
 0  
Atomization Enthalpy 0K 
 0  
Entropy (298.15K) 
 0  
Entropy at any temperature 

0 

Integrated Heat Capacity 
 0  
Heat Capacity (Cp) 
 0  
Nuclear Repulsion Energy 

332 

HOMOLUMO Energies 

295 

Barriers to Internal Rotation 
 0  
Geometries 
Cartesians 
x  332 

Internal Coordinates 
x  332  x 
Products of moments of inertia 
x  325  x 
Rotational Constants 
x  332  x 
Point Group 
 333  
Vibrations 
Vibrational Frequencies 
x  332  x 
Vibrational Intensities 
 295  
Zeropoint energies 
x  332  x 
Vibrational scaling factors 
x 
Anharmonic frequencies and constants 



Electronic States 
Electronic states 

0 

Electrostatics 
Atom charges 

194 

Dipole 
x  260  x 
Quadrupole 
 232  
Polarizability 
 194  
Other results 
Spin 

0 

Number of basis functions 

28 

Diagnostics 

0 

Conformations 

1 
