Geometry optimization status

Iteration:   125

Total enthalpy                  : -2154.627612 kcal/mol
  External pressure term        : 0.000000 kcal/mol

Total energy                    :       -2154.627612 kcal/mol

Contributions to total energy (kcal/mol):
  Valence energy (diag. terms)  :         490.488
    Bond                        :           3.318
    Angle                       :         485.489
    Torsion                     :           1.682
    Inversion                   :           0.000
  Non-bond energy               :       -2645.116
    van der Waals               :         -55.564
    Long range correction       :          -2.060
    Electrostatic               :       -2587.491
 
rms force  :  1.416E-01 kcal/mol/A     
max force  :  7.992E-01 kcal/mol/A
       
Cell parameters:    a:   9.421005 A    b:   9.421005 A    c:   9.421005 A   
                alpha:  94.200 deg  beta:  94.200 deg gamma:  94.200 deg
