Property 
Experiment 
Calculated 
Comparison 
Energies Entropies 
Enthalpy 298.15K 



Enthalpy 0K 



Energy 0K 

184 

Energy 298.15K 

8 

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) 
x  0  x 
Nuclear Repulsion Energy 

184 

HOMOLUMO Energies 

184 

Barriers to Internal Rotation 
 0  
Geometries 
Cartesians 
 184 

Internal Coordinates 
 184  
Products of moments of inertia 
 175  
Rotational Constants 
 183  
Point Group 
 185  
Vibrations 
Vibrational Frequencies 
 183  
Vibrational Intensities 
 172  
Zeropoint energies 
 183  
Vibrational scaling factors 

Anharmonic frequencies and constants 



Electronic States 
Electronic states 

0 

Electrostatics 
Atom charges 

99 

Dipole 
 98  
Quadrupole 
 96  
Polarizability 
 100  
Other results 
Spin 

0 

Number of basis functions 

27 

Diagnostics 

0 

Conformations 

2 
x 