---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.2508622401       -0.0188425808        0.0184863308
       -0.0153200832       -0.2824295246        0.0040774741
        0.0160632988        0.0032487916       -0.2517811453


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

   Component         Value                Principal Axis 
   HFS_11          -0.292774        -0.4563   -0.8485    0.2681
   HFS_22          -0.260355        -0.4691    0.4854    0.7378
   HFS_33          -0.231944         0.7561   -0.2109    0.6195
   HFS_iso         -0.261691


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

   Component         Value                Principal Axis 
   HFS_11           0.231953        -0.7539    0.2138   -0.6212
   HFS_22           0.260356         0.4693   -0.4864   -0.7370
   HFS_33           0.292782        -0.4598   -0.8471    0.2664
   HFS_iso          0.261697

---------------------------------------------------------------------
                             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 -----
        7.8172451450       -1.3463337818        0.4769382546
       -1.3648609281        6.5552856749        0.9563635679
        0.4745059076        0.9375493516        8.3495314345

 ----- G * HFS_ani --> PC -----
       -0.4552706260       -7.4401372076       -8.4132938309
       -8.8400200715        0.4260688519       -7.4195526759
       -7.8236074393       -5.6519795566       -0.3573322399

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

 ----- GT * HFS -----
        7.3619745190       -0.8848515326       -0.0637623965
       -1.0227749264        6.9813545268        0.9299787586
       -0.0063622943        0.9033061183        7.9921991946

 ------- PNMR(mu,B) -------
        7.3619745190       -0.8848515326       -0.0637623965
       -1.0227749264        6.9813545268        0.9299787586
       -0.0063622943        0.9033061183        7.9921991946
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11          5.947808        -0.5196   -0.7829    0.3421
  SIGMA_22          7.619157        -0.7492    0.2249   -0.6230
  SIGMA_33          8.768563        -0.4109    0.5800    0.7034
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       7.5740
 PC  =      -0.1288
 SUM =       7.4452
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
