---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.2927537258        0.6305092932       -0.0695565154
        0.6431232044        0.0855077176       -0.0153885352
       -0.0780082684       -0.0206137950       -0.4517312817


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

   Component         Value                Principal Axis 
   HFS_11          -0.489725         0.4881   -0.5183    0.7022
   HFS_22          -0.421642         0.4263   -0.5605   -0.7100
   HFS_33           0.837897        -0.7616   -0.6459    0.0526
   HFS_iso         -0.024490


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

   Component         Value                Principal Axis 
   HFS_11           0.421640        -0.4284    0.5594    0.7096
   HFS_22           0.489543        -0.5050    0.5030   -0.7014
   HFS_33           0.838081        -0.7493   -0.6589    0.0670
   HFS_iso          0.583088

---------------------------------------------------------------------
                             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 -----
        0.7315648387       -0.1259945720        0.0446335315
       -0.1277284064        0.6134663066        0.0894998105
        0.0444059040        0.0877391111        0.7813780307

 ----- G * HFS_ani --> PC -----
       -6.0621468039      -14.6522068903       -1.3998833481
      -19.4690996248        0.6084271766       -1.7749907110
        2.3102824053        1.1199695789       13.8490998433

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

 ----- GT * HFS -----
       -5.3305819652      -14.0387405837       -0.6185053174
      -18.7375347861        1.2218934832       -0.9936126803
        3.0418472440        1.7334358855       14.6304778740

 ------- PNMR(mu,B) -------
       -5.3305819652      -14.0387405837       -0.6185053174
      -18.7375347861        1.2218934832       -0.9936126803
        3.0418472440        1.7334358855       14.6304778740
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -18.807813         0.7732    0.6332   -0.0350
  SIGMA_22         14.182884        -0.4321    0.5664    0.7017
  SIGMA_33         15.146718         0.4642   -0.5274    0.7116
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       0.7088
 PC  =       2.7985
 SUM =       3.5073
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
