---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.0563721365       -0.0275109364        0.0913676245
        0.1395598221       -0.1247094109        0.0426517555
       -0.0392500865       -0.0579179090       -0.1526397450


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

   Component         Value                Principal Axis 
   HFS_11          -0.175023        -0.4263    0.5800    0.6941
   HFS_22          -0.136602         0.2379   -0.6685    0.7047
   HFS_33          -0.022097         0.8727    0.4656    0.1470
   HFS_iso         -0.111240


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

   Component         Value                Principal Axis 
   HFS_11           0.084396        -0.8897   -0.0880   -0.4480
   HFS_22           0.174964         0.4233   -0.5267   -0.7372
   HFS_33           0.198973        -0.1711   -0.8455    0.5058
   HFS_iso          0.152778

---------------------------------------------------------------------
                             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 -----
        3.3229794578       -0.5723038509        0.2027384319
       -0.5801794293        2.7865417079        0.4065340707
        0.2017044821        0.3985364637        3.5492454086

 ----- G * HFS_ani --> PC -----
       -1.9481833363       -2.7147597949       -6.2611477993
       -8.2196820609        0.9025874667       -4.7086895197
       -2.1758014797       -0.9907899640        1.6040879100

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

 ----- GT * HFS -----
        1.3747961215        0.0717819131       -2.7119023907
       -4.8967026031        3.6891291746       -1.1594441111
        1.1471779781        1.7957517439        5.1533333186

 ------- PNMR(mu,B) -------
        1.3747961215        0.0717819131       -2.7119023907
       -4.8967026031        3.6891291746       -1.1594441111
        1.1471779781        1.7957517439        5.1533333186
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -0.189844         0.8489    0.5203    0.0933
  SIGMA_22          4.520467         0.3122   -0.6360    0.7057
  SIGMA_33          5.886635        -0.4265    0.5699    0.7023
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       3.2196
 PC  =       0.1862
 SUM =       3.4058
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
