---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.2394464029        0.5331239545       -0.0520497588
       -0.4864092144       -0.2382875063       -0.7613610684
        0.7376296048       -0.1701374979       -0.2762925821


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

   Component         Value                Principal Axis 
   HFS_11          -0.847036        -0.4231    0.5608    0.7117
   HFS_22          -0.216748        -0.8061   -0.5916   -0.0131
   HFS_33           0.309757        -0.4137    0.5792   -0.7023
   HFS_iso         -0.251342


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

   Component         Value                Principal Axis 
   HFS_11           0.447497        -0.8661   -0.0424   -0.4980
   HFS_22           0.847099         0.4312   -0.5674   -0.7015
   HFS_33           0.974095        -0.2528   -0.8223    0.5098
   HFS_iso          0.756231

---------------------------------------------------------------------
                             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 -----
        7.5081051113       -1.2930917940        0.4580772997
       -1.3108862675        6.2960509705        0.9185433051
        0.4557411421        0.9004731140        8.0193416578

 ----- G * HFS_ani --> PC -----
        2.5195592132      -20.6960716722       -7.8705710699
        7.1596577372       -0.1017711471       18.0300280436
      -29.9289895912        2.7506253032        0.0734982581

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

 ----- GT * HFS -----
       10.0276643245      -14.4000207016        0.1487705879
       14.6677628486        6.1942798234       26.0493697014
      -22.4208844799        9.0466762737        8.0928399159

 ------- PNMR(mu,B) -------
       10.0276643245      -14.4000207016        0.1487705879
       14.6677628486        6.1942798234       26.0493697014
      -22.4208844799        9.0466762737        8.0928399159
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -13.219743         0.3376   -0.6325    0.6971
  SIGMA_22          9.042018        -0.8396   -0.5372   -0.0808
  SIGMA_33         28.492510        -0.4256    0.5581    0.7124
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       7.2745
 PC  =       0.8304
 SUM =       8.1049
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
