---------------------------------------------------------------------
        Collecting the numbers for calculating of PNMR               
---------------------------------------------------------------------
 --- TEMPERATURE ----
     293.00000
 ------ GVALUE ------
       1.40482
 --- 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]                            
---------------------------------------------------------------------
        0.0844221876        0.3089975001       -0.1063202394
       -0.0284926921        0.0713127808       -0.1823925005
        0.1552352685        0.0151175107       -0.0598412627


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

   Component         Value                Principal Axis 
   HFS_11          -0.140819        -0.4267    0.5616    0.7089
   HFS_22           0.012348         0.5886   -0.4227    0.6891
   HFS_33           0.224364         0.6866    0.7113   -0.1502
   HFS_iso          0.031965


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

   Component         Value                Principal Axis 
   HFS_11           0.140800        -0.4155    0.5567    0.7194
   HFS_22           0.157307         0.1459   -0.7398    0.6568
   HFS_33           0.369341         0.8978    0.3779    0.2261
   HFS_iso          0.222482

---------------------------------------------------------------------
                             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 -----
       -3.7965501524        0.6538650931       -0.2316314724
        0.6628630506       -3.1836625776       -0.4644708183
       -0.2304501704       -0.4553334413       -4.0550621417

 ----- G * HFS_ani --> PC -----
        0.9437499915      -24.3509463679       12.4412232055
        9.9745445270       -1.9037454706       26.3638263218
      -13.8963904750        5.7058802048       10.3020109184

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

 ----- GT * HFS -----
       -2.8528001609      -27.5346089455        8.3861610638
        6.1779943746       -5.0874080482       22.3087641802
      -17.6929406274        2.5222176272        6.2469487767

 ------- PNMR(mu,B) -------
       -2.8528001609      -27.5346089455        8.3861610638
        6.1779943746       -5.0874080482       22.3087641802
      -17.6929406274        2.5222176272        6.2469487767
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -16.869835         0.5006    0.8006   -0.3292
  SIGMA_22         -3.657565         0.7526   -0.2146    0.6226
  SIGMA_33         18.834140        -0.4278    0.5594    0.7100
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -3.6784
 PC  =       3.1140
 SUM =      -0.5644
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
