---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0282160024        0.0706113566       -0.1432744331
        0.0764841316        0.0494995493        0.1378183469
       -0.1390405333        0.1401670264       -0.0296982030


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

   Component         Value                Principal Axis 
   HFS_11          -0.230524         0.5210   -0.4854    0.7021
   HFS_22           0.111869        -0.7477   -0.6563    0.1011
   HFS_33           0.166672        -0.4117    0.5776    0.7048
   HFS_iso          0.016006


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

   Component         Value                Principal Axis 
   HFS_11           0.111917         0.7437    0.6625   -0.0895
   HFS_22           0.166711         0.4151   -0.5626   -0.7150
   HFS_33           0.230535         0.5240   -0.4946    0.6934
   HFS_iso          0.169721

---------------------------------------------------------------------
                             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 -----
       -1.9010660939        0.3274132327       -0.1159860191
        0.3319188263       -1.5941717448       -0.2325768629
       -0.1153944997       -0.2280014571       -2.0305121325

 ----- G * HFS_ani --> PC -----
        1.0469894502       -2.8205799685       18.9759653346
       -7.1503522024       -3.7346303851      -16.7267937226
       21.5362398095      -14.7875817503        4.7688794119

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

 ----- GT * HFS -----
       -0.8540766437       -4.4147517133       16.9454532021
       -9.0514182963       -5.3288021299      -18.7573058552
       19.6351737156      -16.3817534951        2.7383672793

 ------- PNMR(mu,B) -------
       -0.8540766437       -4.4147517133       16.9454532021
       -9.0514182963       -5.3288021299      -18.7573058552
       19.6351737156      -16.3817534951        2.7383672793
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -22.287831        -0.4267    0.5635    0.7074
  SIGMA_22         -9.806682        -0.7253   -0.6804    0.1045
  SIGMA_33         28.650001         0.5403   -0.4685    0.6990
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -1.8419
 PC  =       0.6937
 SUM =      -1.1482
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
