The Calculated Surface using the 'Actual Energy'
   7.55890395  -0.74239862
   7.32930292  -0.74349939
   7.09970189  -0.74467446

The Calculated Surface using the SCF energy
   7.55890395  -0.74239862
   7.32930292  -0.74349939
   7.09970189  -0.74467446
