---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.4467739817        0.1487197056       -0.1340196495
        0.1406540709        0.4238127720       -0.5813632685
       -0.1252717461       -0.5716311964       -0.0485471597


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

   Component         Value                Principal Axis 
   HFS_11          -0.488910         0.8849    0.1402    0.4441
   HFS_22          -0.422021         0.4416   -0.5557   -0.7044
   HFS_33           0.839422        -0.1480   -0.8195    0.5536
   HFS_iso         -0.023836


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

   Component         Value                Principal Axis 
   HFS_11           0.422012         0.4412   -0.5521   -0.7075
   HFS_22           0.488753         0.8822    0.1221    0.4548
   HFS_33           0.839588        -0.1647   -0.8248    0.5409
   HFS_iso          0.583451

---------------------------------------------------------------------
                             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 -----
        0.7120338078       -0.1226308183        0.0434419230
       -0.1243183635        0.5970882240        0.0871103797
        0.0432203726        0.0853966867        0.7605171068

 ----- G * HFS_ani --> PC -----
       13.6526825987       -6.1408676850        3.7862762774
       -1.6490992104       -8.4070241592       15.9833104825
        0.1367489295       13.2515499904        3.1057996195

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

 ----- GT * HFS -----
       14.3647164066       -5.5437794609        4.5467933842
       -0.9370654026       -7.8099359352       16.7438275893
        0.8487827373       13.8486382145        3.8663167263

 ------- PNMR(mu,B) -------
       14.3647164066       -5.5437794609        4.5467933842
       -0.9370654026       -7.8099359352       16.7438275893
        0.8487827373       13.8486382145        3.8663167263
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -18.874795         0.1253    0.8163   -0.5639
  SIGMA_22         14.193882        -0.4734    0.5487    0.6891
  SIGMA_33         15.102010         0.8719    0.1806    0.4552
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       0.6899
 PC  =       2.7838
 SUM =       3.4737
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
