---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        2.4711054974        2.7759690711        0.6445669256
        2.9288181808       -0.4917287723        0.3564863118
        0.5253254167        0.2638454439       -2.1703950387


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

   Component         Value                Principal Axis 
   HFS_11          -2.270350        -0.3998    0.5081    0.7629
   HFS_22          -2.192323         0.3418   -0.6897    0.6384
   HFS_33           4.271655         0.8505    0.5159    0.1021
   HFS_iso         -0.063673


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

   Component         Value                Principal Axis 
   HFS_11           2.186818         0.3830   -0.6598    0.6465
   HFS_22           2.270319        -0.3982    0.5135    0.7601
   HFS_33           4.277191         0.8335    0.5486    0.0661
   HFS_iso          2.911443

---------------------------------------------------------------------
                             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 -----
        1.9020360601       -0.3275802862        0.1160451977
       -0.3320881786        1.5949851267        0.2326955288
        0.1154533765        0.2281177885        2.0315481450

 ----- G * HFS_ani --> PC -----
      -62.4095749476      -60.7282856737      -37.2457255202
      -92.6028575443       24.5135425160      -16.9464212657
      -12.2830589821        2.2742105028       65.2955806567

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

 ----- GT * HFS -----
      -60.5075388875      -59.1333005470      -35.2141773752
      -90.7008214842       26.1085276426      -14.9148731207
      -10.3810229220        3.8691956294       67.3271288016

 ------- PNMR(mu,B) -------
      -60.5075388875      -59.1333005470      -35.2141773752
      -90.7008214842       26.1085276426      -14.9148731207
      -10.3810229220        3.8691956294       67.3271288016
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11       -106.649339         0.8614    0.4914    0.1285
  SIGMA_22         63.218273         0.2863   -0.6787    0.6764
  SIGMA_33         76.359184         0.4196   -0.5458   -0.7253
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       1.8429
 PC  =       9.1332
 SUM =      10.9760
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
