---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.1470027786       -0.0401875967       -0.1513996136
       -0.0363384078        0.1263760165        0.0054734464
       -0.1517211606        0.0111449048        0.0678256631


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

   Component         Value                Principal Axis 
   HFS_11          -0.227935        -0.8877   -0.0853   -0.4525
   HFS_22           0.111252         0.2016    0.8115   -0.5485
   HFS_33           0.163881        -0.4140    0.5781    0.7032
   HFS_iso          0.015733


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

   Component         Value                Principal Axis 
   HFS_11           0.111294        -0.1986   -0.8188    0.5387
   HFS_22           0.163921        -0.4115    0.5685    0.7124
   HFS_33           0.227937         0.8895    0.0802    0.4498
   HFS_iso          0.167717

---------------------------------------------------------------------
                             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 -----
       -1.8686627394        0.3218325287       -0.1140090567
        0.3262613252       -1.5669993533       -0.2286126291
       -0.1134276197       -0.2241152103       -1.9959023919

 ----- G * HFS_ani --> PC -----
       19.5868626308        4.7192730670       22.8518471849
        8.7659628666      -11.8413234628       -0.2714836993
       19.6312708655       -3.6128008804       -5.6710356238

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

 ----- GT * HFS -----
       17.7181998914        3.1522737137       20.8559447930
        6.8973001272      -13.4083228161       -2.2673860912
       17.7626081261       -5.1798002337       -7.6669380157

 ------- PNMR(mu,B) -------
       17.7181998914        3.1522737137       20.8559447930
        6.8973001272      -13.4083228161       -2.2673860912
       17.7626081261       -5.1798002337       -7.6669380157
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -21.914730         0.4191   -0.5603   -0.7144
  SIGMA_22         -9.747125         0.2154    0.8258   -0.5213
  SIGMA_33         28.304794         0.8820    0.0646    0.4668
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -1.8105
 PC  =       0.6915
 SUM =      -1.1190
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
