---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.0922069148        0.0304485456       -0.1026297026
        0.0350059843        0.0321294096        0.0431686270
       -0.1083311398        0.0387669202       -0.0507323233


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

   Component         Value                Principal Axis 
   HFS_11          -0.190802        -0.7457    0.2247   -0.6273
   HFS_22           0.028713         0.6274    0.5539   -0.5474
   HFS_33           0.051279        -0.2244    0.8017    0.5540
   HFS_iso         -0.036937


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

   Component         Value                Principal Axis 
   HFS_11           0.028622         0.6478    0.5405   -0.5369
   HFS_22           0.051280         0.2128   -0.8051   -0.5537
   HFS_33           0.190910         0.7314   -0.2444    0.6366
   HFS_iso          0.090271

---------------------------------------------------------------------
                             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 -----
        4.3870978622       -0.7555728324        0.2676614022
       -0.7659704088        3.6788765399        0.5367185609
        0.2662963505        0.5261598786        4.6858210056

 ----- G * HFS_ani --> PC -----
        7.9359974391       -7.1357679476        8.5596380499
       -8.1898331865       -6.7778117589      -10.8827801637
        9.6494762876       -9.0333871189        1.9718481383

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

 ----- GT * HFS -----
       12.3230953014       -3.4568914077       13.2454590555
       -3.8027353243       -3.0989352190       -6.1969591580
       14.0365741499       -5.3545105790        6.6576691439

 ------- PNMR(mu,B) -------
       12.3230953014       -3.4568914077       13.2454590555
       -3.8027353243       -3.0989352190       -6.1969591580
       14.0365741499       -5.3545105790        6.6576691439
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -6.653495         0.3218   -0.7026   -0.6347
  SIGMA_22         -2.385565         0.5845    0.6748   -0.4507
  SIGMA_33         24.920889         0.7449   -0.2259    0.6278
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       4.2506
 PC  =       1.0433
 SUM =       5.2939
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
