---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.8852234038        0.1726496261       -0.2040026937
       -0.3487431430       -0.9337320241       -0.0848958246
        0.2026639633        0.2268238043       -0.8232385473


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

   Component         Value                Principal Axis 
   HFS_11          -1.017778        -0.5286   -0.7980    0.2893
   HFS_22          -0.854273        -0.7385    0.2643   -0.6203
   HFS_33          -0.770143        -0.4186    0.5415    0.7291
   HFS_iso         -0.880731


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

   Component         Value                Principal Axis 
   HFS_11           0.770167        -0.4211    0.5475    0.7231
   HFS_22           0.923095        -0.8210    0.1088   -0.5605
   HFS_33           1.086606        -0.3856   -0.8297    0.4037
   HFS_iso          0.926623

---------------------------------------------------------------------
                             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 -----
      104.6077202456      -18.0161815308        6.3822257823
      -18.2641055115       87.7206071052       12.7977325402
        6.3496769412       12.5459670854      111.7305946372

 ----- G * HFS_ani --> PC -----
        5.5846183316     -120.1185287682      -81.9445368226
      -81.9373491296       -0.6456748368      -84.8655672689
     -118.0399465385      -94.4395316856      -12.0581379336

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

 ----- GT * HFS -----
      110.1923385772      -32.3979216630       29.7860578146
       22.6703711160       87.0749322685       26.8650273683
      -13.4322262929       -6.7189245804       99.6724567036

 ------- PNMR(mu,B) -------
      110.1923385772      -32.3979216630       29.7860578146
       22.6703711160       87.0749322685       26.8650273683
      -13.4322262929       -6.7189245804       99.6724567036
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         79.247125         0.2634    0.8192   -0.5094
  SIGMA_22        103.022997        -0.4165    0.5729    0.7059
  SIGMA_33        114.669606         0.8702    0.0263    0.4921
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =     101.3530
 PC  =      -2.3731
 SUM =      98.9799
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
