---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.3945145590        0.5779216253        0.0127125309
        0.6115860904        0.3959728785       -0.8743079528
       -0.0224607861       -0.8998118733       -0.4872760974


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

   Component         Value                Principal Axis 
   HFS_11          -1.180281         0.4196   -0.5602   -0.7142
   HFS_22          -0.426375         0.8471   -0.0410    0.5299
   HFS_33           1.120838        -0.3262   -0.8273    0.4573
   HFS_iso         -0.161939


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

   Component         Value                Principal Axis 
   HFS_11           0.425314        -0.8584    0.0076   -0.5129
   HFS_22           1.121788         0.2738    0.8523   -0.4456
   HFS_33           1.180401        -0.4338    0.5229    0.7337
   HFS_iso          0.909168

---------------------------------------------------------------------
                             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 -----
       19.2341253814       -3.3126187402        1.1734939890
       -3.3582042947       16.1291074084        2.3531073204
        1.1675092635        2.3068154376       20.5438017495

 ----- G * HFS_ani --> PC -----
       39.5167878944      -81.9412013883      -27.6953403145
      -77.3596418852      -30.6028704185       80.1862500052
      -31.7131201135       79.9736808962       54.5103580525

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

 ----- GT * HFS -----
       58.7509132757      -65.8120939798       -7.1515385650
      -58.1255165038      -14.4737630100      100.7300517547
      -12.4789947321       96.1027883047       75.0541598019

 ------- PNMR(mu,B) -------
       58.7509132757      -65.8120939798       -7.1515385650
      -58.1255165038      -14.4737630100      100.7300517547
      -12.4789947321       96.1027883047       75.0541598019
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -93.011250        -0.3082   -0.8287    0.4673
  SIGMA_22         54.484528        -0.8534    0.0237   -0.5207
  SIGMA_33        157.858032        -0.4204    0.5592    0.7145
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      18.6357
 PC  =      21.1414
 SUM =      39.7771
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
