ORIENT version 4.9.04  03 Aug 2016

                             by

                        Anthony Stone

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...
Target grid spacing = 0.7500 bohr    

Finding smoothed surface grid
1150 points, 2296 triangles
Minimum potential  =     -1.26422 V  (    -0.04646 a.u.)
Maximum potential  =      1.12788 V  (     0.04145 a.u.)
Minimum potential  =     -1.36323 V  (    -0.05010 a.u.)
Maximum potential  =      1.10025 V  (     0.04043 a.u.)
Minimum potential  =     -0.14260 V  (    -0.00524 a.u.)
Maximum potential  =      0.10640 V  (     0.00391 a.u.)

Map 3: Diff
Grid 1.5vdW
Defined T, Scalar T,  vector F
Molecule 2 formamide
Step  0.750
1150 points
Minimum scalar value  -13.75879 kJ/mol,        maximum   10.26584 kJ/mol
R.m.s. difference =   6.12867 kJ/mol
Colour scale: 
  bottom    -30.00000 kJ/mol
  top        30.00000 kJ/mol
Entering show_map