---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.2417469731        0.5327346932       -0.0519435806
       -0.4849787926       -0.2388620376       -0.7635103176
        0.7384874285       -0.1688111187       -0.2737825626


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

   Component         Value                Principal Axis 
   HFS_11          -0.847227        -0.4249    0.5610    0.7104
   HFS_22          -0.217943        -0.8060   -0.5917   -0.0147
   HFS_33           0.310779        -0.4121    0.5789   -0.7036
   HFS_iso         -0.251464


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

   Component         Value                Principal Axis 
   HFS_11           0.446674        -0.8651   -0.0425   -0.4998
   HFS_22           0.847288         0.4329   -0.5665   -0.7012
   HFS_33           0.975478        -0.2533   -0.8230    0.5085
   HFS_iso          0.756480

---------------------------------------------------------------------
                             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 -----
        7.5117403603       -1.2937178788        0.4582990900
       -1.3115209680        6.2990993712        0.9189880423
        0.4559618013        0.9009091021        8.0232244355

 ----- G * HFS_ani --> PC -----
        2.5824239719      -20.7015854375       -7.8722261550
        7.1141934494       -0.0753685156       18.0942120459
      -29.9558832433        2.7097722175       -0.0168801156

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

 ----- GT * HFS -----
       10.0941643322      -14.4024860663        0.1509982805
       14.6259338097        6.2237308557       26.1174364814
      -22.4441428830        9.0088715887        8.0063443199

 ------- PNMR(mu,B) -------
       10.0941643322      -14.4024860663        0.1509982805
       14.6259338097        6.2237308557       26.1174364814
      -22.4441428830        9.0088715887        8.0063443199
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -13.251391         0.3365   -0.6317    0.6984
  SIGMA_22          9.076712        -0.8392   -0.5376   -0.0820
  SIGMA_33         28.498918        -0.4272    0.5585    0.7110
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       7.2780
 PC  =       0.8301
 SUM =       8.1081
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
