---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0835157361        0.9336744442        0.0176543467
        0.8912483596        0.1856635577       -0.5237725299
        0.0517349744       -0.5044591880       -0.7507081830


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

   Component         Value                Principal Axis 
   HFS_11          -1.171225        -0.4241    0.5560    0.7148
   HFS_22          -0.427036         0.6346   -0.3806    0.6726
   HFS_33           1.116732         0.6461    0.7389   -0.1914
   HFS_iso         -0.160510


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

   Component         Value                Principal Axis 
   HFS_11           0.425844         0.6078   -0.4119    0.6789
   HFS_22           1.117876        -0.6585   -0.7392    0.1411
   HFS_33           1.171279        -0.4438    0.5328    0.7205
   HFS_iso          0.905000

---------------------------------------------------------------------
                             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 -----
       19.0643229848       -3.2833743327        1.1631341682
       -3.3285574495       15.9867166816        2.3323336561
        1.1572022770        2.2864504466       20.3624372890

 ----- G * HFS_ani --> PC -----
       -9.7490662515     -107.5235372530      -36.7743240290
     -117.2948405615       -8.7863310740       36.9276737486
      -30.2579967477       46.0093671661       81.8285698911

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

 ----- GT * HFS -----
        9.3152567333      -91.5368205714      -16.4118867400
      -98.2305175767        7.2003856076       57.2901110376
      -11.1936737630       61.9960838477      102.1910071801

 ------- PNMR(mu,B) -------
        9.3152567333      -91.5368205714      -16.4118867400
      -98.2305175767        7.2003856076       57.2901110376
      -11.1936737630       61.9960838477      102.1910071801
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -92.539049         0.6578    0.7320   -0.1776
  SIGMA_22         54.597236         0.6222   -0.3952    0.6758
  SIGMA_33        156.648462        -0.4244    0.5550    0.7154
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      18.4712
 PC  =      21.0977
 SUM =      39.5689
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
