---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.8643227485       -0.3425933453        0.2020628877
        0.1837134647       -0.9387386545        0.2349147096
       -0.2048078850       -0.0701576148       -0.8305897158


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

   Component         Value                Principal Axis 
   HFS_11          -1.016213        -0.4291   -0.8268    0.3637
   HFS_22          -0.851257        -0.7826    0.1392   -0.6068
   HFS_33          -0.766181        -0.4511    0.5450    0.7067
   HFS_iso         -0.877884


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

   Component         Value                Principal Axis 
   HFS_11           0.766247         0.4380   -0.5502   -0.7110
   HFS_22           0.920363        -0.6940    0.2957   -0.6564
   HFS_33           1.085340         0.5714    0.7809   -0.2523
   HFS_iso          0.923984

---------------------------------------------------------------------
                             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 -----
      104.2694980178      -17.9579308296        6.3615904925
      -18.2050532117       87.4369850257       12.7563543551
        6.3291468898       12.5054029194      111.3693424224

 ----- G * HFS_ani --> PC -----
      -10.1719737747      -73.8736814125     -125.7617970827
     -147.2504843771        6.4728206631     -128.8615495686
      -75.4104174996      -72.8071388996       -3.4961821341

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

 ----- GT * HFS -----
       94.0975242432       13.5633036132      -14.3924546603
      -42.9809863593       93.9098056888      -17.4922071462
       28.8590805183       14.6298461261      107.8731602883

 ------- PNMR(mu,B) -------
       94.0975242432       13.5633036132      -14.3924546603
      -42.9809863593       93.9098056888      -17.4922071462
       28.8590805183       14.6298461261      107.8731602883
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         78.697380         0.7181    0.6807   -0.1446
  SIGMA_22        102.511946         0.4078   -0.5801   -0.7051
  SIGMA_33        114.671164         0.5639   -0.4474    0.6942
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =     101.0253
 PC  =      -2.3984
 SUM =      98.6268
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
