---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.1042765788        0.0314214890       -0.1100037678
        0.0222812970        0.0398236369        0.0304412714
       -0.1026725976        0.0371354123       -0.0423885596


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

   Component         Value                Principal Axis 
   HFS_11          -0.191632        -0.7819    0.1779   -0.5974
   HFS_22           0.030570        -0.5880   -0.5288    0.6121
   HFS_33           0.054220        -0.2070    0.8299    0.5181
   HFS_iso         -0.035614


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

   Component         Value                Principal Axis 
   HFS_11           0.030342         0.5556    0.5442   -0.6287
   HFS_22           0.054166        -0.2296    0.8271    0.5130
   HFS_33           0.191921         0.7991   -0.1407    0.5844
   HFS_iso          0.092143

---------------------------------------------------------------------
                             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 -----
        4.2299868989       -0.7285142212        0.2580758990
       -0.7385394391        3.5471284333        0.5174975695
        0.2567597326        0.5073170152        4.5180121545

 ----- G * HFS_ani --> PC -----
        9.6000071241       -7.2427778573        9.7362545995
       -6.2700469774       -7.4914015670       -9.1199580166
        9.0405131752       -8.7422469273        1.0638599274

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

 ----- GT * HFS -----
       13.8299940230       -3.6956494240       14.2542667540
       -2.0400600785       -3.9442731338       -4.6019458621
       13.2705000741       -5.1951184940        5.5818720819

 ------- PNMR(mu,B) -------
       13.8299940230       -3.6956494240       14.2542667540
       -2.0400600785       -3.9442731338       -4.6019458621
       13.2705000741       -5.1951184940        5.5818720819
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -6.961404         0.3148   -0.7147   -0.6245
  SIGMA_22         -2.592004         0.5390    0.6762   -0.5022
  SIGMA_33         25.021001         0.7813   -0.1785    0.5981
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       4.0984
 PC  =       1.0575
 SUM =       5.1559
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
