---------------------------------------------------------------------
        Collecting the numbers for calculating of PNMR               
---------------------------------------------------------------------
 --- TEMPERATURE ----
     293.00000
 ------ GVALUE ------
       5.58570
 --- MULTIPLICITY ---
      2
---------------------------------------------------------------------
                             GT(B,S)                                 
---------------------------------------------------------------------
        2.2217343298       -0.3879062666        0.1348590258
       -0.3826406780        1.8630736219        0.2664603120
        0.1355503216        0.2718074886        2.3730150816


   Component         Value                Principal Axis 
    GT_11           1.512946         0.4982    0.8024   -0.3287
    GT_22           2.443049         0.7629   -0.2254    0.6059
    GT_33           2.501836        -0.4121    0.5526    0.7244
    GT_iso          2.152610

---------------------------------------------------------------------
                           HFS(I,S) [MHz]                            
---------------------------------------------------------------------
       -2.1899753131       -0.1621483350        0.1769449712
       -0.3116371199        1.6366119778       -3.2505624000
        0.2901780699       -3.1433742624        0.3674972853


               Symmetrized by prescription: (A+A^T)/2
               --------------------------------------

   Component         Value                Principal Axis 
   HFS_11          -2.271391        -0.4233    0.5582    0.7137
   HFS_22          -2.192834        -0.9046   -0.3048   -0.2981
   HFS_33           4.278359         0.0512   -0.7717    0.6339
   HFS_iso         -0.061955


                Symmetrized by prescription:  A*A^T
                -----------------------------------

   Component         Value                Principal Axis 
   HFS_11           2.187292         0.9036    0.2679    0.3343
   HFS_22           2.271354         0.4284   -0.5531   -0.7145
   HFS_33           4.283938         0.0065   -0.7888    0.6146
   HFS_iso          2.914195

---------------------------------------------------------------------
                             CS(mu,B)                                
---------------------------------------------------------------------
        0.0000000000        0.0000000000        0.0000000000
        0.0000000000        0.0000000000        0.0000000000
        0.0000000000        0.0000000000        0.0000000000


 Component           Value                Principal Axis 
 SIGMA_11           0.000000         1.0000    0.0000    0.0000
 SIGMA_22           0.000000         0.0000    1.0000    0.0000
 SIGMA_33           0.000000         0.0000    0.0000    1.0000
 SIGMA_iso          0.000000

---------------------------------------------------------------------
                           Final results                             
---------------------------------------------------------------------

 ----- G * HFS_iso --> FC -----
        1.8507331720       -0.3187445890        0.1129151552
       -0.3231308918        1.5519642055        0.2264191217
        0.1123392969        0.2219648550        1.9767519772

 ----- G * HFS_ani --> PC -----
       62.4017800993       -9.3909956046       -3.0385075111
       21.8883456637      -32.5062763288       96.3228130867
      -27.5797121051       77.3649581856       -2.7433758043

 ----- CS_orb -----
        0.0000000000        0.0000000000        0.0000000000
        0.0000000000        0.0000000000        0.0000000000
        0.0000000000        0.0000000000        0.0000000000

 ----- GT * HFS -----
       64.2525132713       -7.8390313992       -1.0617555339
       23.7390788357      -30.9543121233       98.2995650639
      -25.7289789331       78.9169223911       -0.7666238271

 ------- PNMR(mu,B) -------
       64.2525132713       -7.8390313992       -1.0617555339
       23.7390788357      -30.9543121233       98.2995650639
      -25.7289789331       78.9169223911       -0.7666238271
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11       -107.010533         0.0857   -0.7598    0.6445
  SIGMA_22         63.137525        -0.9025   -0.3332   -0.2729
  SIGMA_33         76.404585        -0.4221    0.5583    0.7143
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       1.7931
 PC  =       9.0507
 SUM =      10.8439
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
