---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.2936739421        0.6309881945       -0.0686101909
        0.6433317823        0.0860297382       -0.0143303229
       -0.0766535384       -0.0194877760       -0.4533280578


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

   Component         Value                Principal Axis 
   HFS_11          -0.490346         0.4817   -0.5116    0.7115
   HFS_22          -0.422097         0.4333   -0.5666   -0.7009
   HFS_33           0.838818        -0.7617   -0.6459    0.0513
   HFS_iso         -0.024541


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

   Component         Value                Principal Axis 
   HFS_11           0.422094         0.4356   -0.5653   -0.7005
   HFS_22           0.490175        -0.4982    0.4968   -0.7106
   HFS_33           0.838992        -0.7497   -0.6585    0.0652
   HFS_iso          0.583754

---------------------------------------------------------------------
                             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 -----
        0.7331036395       -0.1262595936        0.0447274153
       -0.1279970751        0.6147566946        0.0896880678
        0.0444993091        0.0879236648        0.7830216104

 ----- G * HFS_ani --> PC -----
       -6.0903925228      -14.6641496995       -1.4351477145
      -19.4760652351        0.5913421858       -1.8126855810
        2.2770431699        1.1031631758       13.8918189946

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

 ----- GT * HFS -----
       -5.3572888833      -14.0493930050       -0.6521261041
      -18.7429615956        1.2060988804       -1.0296639706
        3.0101468094        1.7179198704       14.6748406050

 ------- PNMR(mu,B) -------
       -5.3572888833      -14.0493930050       -0.6521261041
      -18.7429615956        1.2060988804       -1.0296639706
        3.0101468094        1.7179198704       14.6748406050
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -18.835075         0.7733    0.6332   -0.0337
  SIGMA_22         14.197196         0.4456   -0.5804   -0.6816
  SIGMA_33         15.161530         0.4512   -0.5121    0.7309
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       0.7103
 PC  =       2.7976
 SUM =       3.5079
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
