---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0381713953        0.0445953076       -0.0740054533
        0.0355370288        0.1422157664        0.0027124190
       -0.0657134239        0.0094785667        0.0633890840


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

   Component         Value                Principal Axis 
   HFS_11          -0.027413         0.7693   -0.2035    0.6056
   HFS_22           0.110867         0.4723   -0.4571   -0.7536
   HFS_33           0.160322         0.4302    0.8658   -0.2556
   HFS_iso          0.081259


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

   Component         Value                Principal Axis 
   HFS_11           0.027044         0.7406   -0.2428    0.6265
   HFS_22           0.110880        -0.4815    0.4586    0.7469
   HFS_33           0.160682        -0.4687   -0.8548    0.2227
   HFS_iso          0.099535

---------------------------------------------------------------------
                             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 -----
       -2.4273652153        0.4180556871       -0.1480960757
        0.4238086281       -2.0355089457       -0.2969644184
       -0.1473407976       -0.2911223380       -2.5926476389

 ----- G * HFS_ani --> PC -----
        1.6538851946        1.3799273743        4.7213268688
        2.1026158294       -1.3538449190        1.9216028032
        4.3248566512        1.2328931366        0.6552752502

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

 ----- GT * HFS -----
       -0.7734800207       -0.6555815714        2.1286792300
       -0.3247493858       -3.3893538647       -0.6710448357
        1.8974914360       -0.8026158091       -1.9373723886

 ------- PNMR(mu,B) -------
       -0.7734800207       -0.6555815714        2.1286792300
       -0.3247493858       -3.3893538647       -0.6710448357
        1.8974914360       -0.8026158091       -1.9373723886
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         -3.794885         0.2763   -0.7524   -0.5979
  SIGMA_22         -3.208431         0.5662    0.6302   -0.5314
  SIGMA_33          0.903110         0.7766   -0.1917    0.6001
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      -2.3518
 PC  =       0.3184
 SUM =      -2.0334
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
