---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.2508640181       -0.0196803757        0.0182333322
       -0.0159371574       -0.2831734576        0.0036146221
        0.0161382652        0.0035212021       -0.2532895962


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

   Component         Value                Principal Axis 
   HFS_11          -0.293916        -0.4577   -0.8477    0.2681
   HFS_22          -0.261061        -0.4423    0.4786    0.7584
   HFS_33          -0.232350         0.7713   -0.2286    0.5941
   HFS_iso         -0.262442


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

   Component         Value                Principal Axis 
   HFS_11           0.232357        -0.7692    0.2313   -0.5957
   HFS_22           0.261063         0.4423   -0.4801   -0.7575
   HFS_33           0.293925        -0.4612   -0.8462    0.2670
   HFS_iso          0.262448

---------------------------------------------------------------------
                             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 -----
        7.8396906223       -1.3501994792        0.4783076765
       -1.3687798221        6.5741077168        0.9591095528
        0.4758683456        0.9402413156        8.3735052532

 ----- G * HFS_ani --> PC -----
       -0.4815738028       -7.4370754611       -8.4261304512
       -8.8470730374        0.4243656738       -7.4249153289
       -7.8441363790       -5.6718354580       -0.3343094794

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

 ----- GT * HFS -----
        7.3581168195       -0.8629677443       -0.0526251980
       -1.0073824151        6.9984733907        0.9485899244
       -0.0044457567        0.9022722588        8.0391957738

 ------- PNMR(mu,B) -------
        7.3581168195       -0.8629677443       -0.0526251980
       -1.0073824151        6.9984733907        0.9485899244
       -0.0044457567        0.9022722588        8.0391957738
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11          5.970893        -0.5203   -0.7822    0.3428
  SIGMA_22          7.632515        -0.7604    0.2415   -0.6029
  SIGMA_33          8.792378        -0.3888    0.5743    0.7204
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       7.5958
 PC  =      -0.1305
 SUM =       7.4653
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
