---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.0965475285        0.0294906298       -0.1019752121
        0.0361650049        0.0272294587        0.0423259800
       -0.1074113196        0.0396290900       -0.0544662246


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

   Component         Value                Principal Axis 
   HFS_11          -0.194234        -0.7466    0.2264   -0.6256
   HFS_22           0.023906         0.6267    0.5549   -0.5471
   HFS_33           0.046543        -0.2233    0.8005    0.5562
   HFS_iso         -0.041261


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

   Component         Value                Principal Axis 
   HFS_11           0.023799         0.6437    0.5553   -0.5266
   HFS_22           0.046537         0.2226   -0.7942   -0.5654
   HFS_33           0.194353         0.7322   -0.2468    0.6349
   HFS_iso          0.088230

---------------------------------------------------------------------
                             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 -----
        4.9007729792       -0.8440411035        0.2990012552
       -0.8556561081        4.1096276643        0.5995616928
        0.2974763727        0.5877667188        5.2344729228

 ----- G * HFS_ani --> PC -----
        7.9132897862       -7.5692253969        7.9733302836
       -8.9367067612       -6.6848167627      -11.2617315422
        9.0713496571       -9.4780051371        1.8776897567

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

 ----- GT * HFS -----
       12.8140627654       -3.4595977326       13.2078032064
       -4.0359337821       -2.5751890984       -6.0272586194
       13.9721226363       -5.3683774728        7.1121626795

 ------- PNMR(mu,B) -------
       12.8140627654       -3.4595977326       13.2078032064
       -4.0359337821       -2.5751890984       -6.0272586194
       13.9721226363       -5.3683774728        7.1121626795
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -6.017615         0.3178   -0.7045   -0.6346
  SIGMA_22         -2.000556         0.5856    0.6722   -0.4530
  SIGMA_33         25.369208         0.7457   -0.2277    0.6261
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       4.7483
 PC  =       1.0354
 SUM =       5.7837
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
