---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.0010336466       -0.0843496069        0.1484118298
        0.2505702830        0.1096155110       -0.0444153325
       -0.1125178664       -0.2465614486       -0.0172242289


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

   Component         Value                Principal Axis 
   HFS_11          -0.140828        -0.4225    0.5560    0.7158
   HFS_22           0.010457        -0.8649   -0.0112   -0.5018
   HFS_33           0.221729        -0.2709   -0.8311    0.4857
   HFS_iso          0.030453


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

   Component         Value                Principal Axis 
   HFS_11           0.140816        -0.4405    0.5523    0.7078
   HFS_22           0.156580        -0.8695   -0.4587   -0.1832
   HFS_33           0.367857         0.2235   -0.6961    0.6823
   HFS_iso          0.221751

---------------------------------------------------------------------
                             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 -----
       -3.6169615351        0.6229352428       -0.2206745841
        0.6315075690       -3.0330654467       -0.4424999056
       -0.2195491614       -0.4337947549       -3.8632451042

 ----- G * HFS_ani --> PC -----
        0.9205547970        9.2990018030      -13.7312935238
      -23.5508399427       -2.1262675296        6.0892649390
       11.9922529070       25.5342206779       10.4464278229

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

 ----- GT * HFS -----
       -2.6964067381        6.2659363562      -17.5945386280
      -27.1678014778       -5.1593329763        2.2260198348
        8.3752913719       22.5011552312        6.5831827187

 ------- PNMR(mu,B) -------
       -2.6964067381        6.2659363562      -17.5945386280
      -27.1678014778       -5.1593329763        2.2260198348
        8.3752913719       22.5011552312        6.5831827187
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -16.646393         0.4936    0.8045   -0.3303
  SIGMA_22         -3.462200         0.7602   -0.2147    0.6131
  SIGMA_33         18.836036        -0.4224    0.5537    0.7176
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -3.5044
 PC  =       3.0802
 SUM =      -0.4242
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
