---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0352831887        0.0445305332       -0.0716256850
        0.0335435606        0.1368038084        0.0032857920
       -0.0642450832        0.0076271781        0.0585170650


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

   Component         Value                Principal Axis 
   HFS_11          -0.028864         0.7673   -0.2009    0.6091
   HFS_22           0.104962         0.4770   -0.4561   -0.7513
   HFS_33           0.154506         0.4287    0.8670   -0.2541
   HFS_iso          0.076868


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

   Component         Value                Principal Axis 
   HFS_11           0.028482         0.7372   -0.2421    0.6307
   HFS_22           0.104975        -0.4836    0.4628    0.7429
   HFS_33           0.154881        -0.4718   -0.8527    0.2241
   HFS_iso          0.096113

---------------------------------------------------------------------
                             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 -----
       -2.2962051829        0.3954665039       -0.1400938658
        0.4009085910       -1.9255224395       -0.2809182699
       -0.1393793983       -0.2753918600       -2.4525567510

 ----- G * HFS_ani --> PC -----
        1.6043489067        1.2481784602        4.5108074670
        2.0017388088       -1.3405734783        1.7866292673
        4.1490123664        1.1942924184        0.6747212716

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

 ----- GT * HFS -----
       -0.6918562762       -0.6773439793        2.0582507160
       -0.2944663741       -3.2660959178       -0.6659274836
        1.8528071835       -0.7312300211       -1.7778354793

 ------- PNMR(mu,B) -------
       -0.6918562762       -0.6773439793        2.0582507160
       -0.2944663741       -3.2660959178       -0.6659274836
        1.8528071835       -0.7312300211       -1.7778354793
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -3.612260        -0.2447    0.7903    0.5618
  SIGMA_22         -3.074233         0.5833    0.5828   -0.5658
  SIGMA_33          0.950705         0.7745   -0.1892    0.6036
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -2.2248
 PC  =       0.3128
 SUM =      -1.9119
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
