Geometry optimization status

Iteration:   270

Total enthalpy                  : -211.849951 kcal/mol
  External pressure term        : 0.000000 kcal/mol

Total energy                    :        -211.849951 kcal/mol

Contributions to total energy (kcal/mol):
  Valence energy (diag. terms)  :         240.433
    Bond                        :           4.242
    Angle                       :         210.838
    Torsion                     :          25.350
    Inversion                   :           0.002
  Valence energy (cross terms)  :           0.027
    Stretch-Stretch             :           0.021
    Stretch-Bend-Stretch        :           0.006
    Stretch-Torsion-Stretch     :           0.000
    Separated-Stretch-Stretch   :           0.000
    Torsion-Stretch             :           0.000
    Bend-Bend                   :           0.000
    Torsion-Bend-Bend           :           0.000
    Bend-Torsion-Bend           :           0.000
  Non-bond energy               :        -452.310
    van der Waals               :          57.945
    Long range correction       :          -1.783
    Electrostatic               :        -508.471
 
rms force  :  7.537E-02 kcal/mol/A     
max force  :  2.646E-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
