---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0983289890       -0.2574434082        0.7624147410
        0.7517042265       -0.4004070905        0.0965147236
       -0.0273841284       -0.5155582892       -0.4600294101


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

   Component         Value                Principal Axis 
   HFS_11          -0.847197         0.4230   -0.5659   -0.7077
   HFS_22          -0.222350         0.0691    0.7989   -0.5975
   HFS_33           0.307440         0.9035    0.2038    0.3770
   HFS_iso         -0.254036


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

   Component         Value                Principal Axis 
   HFS_11           0.446363         0.5753   -0.4497    0.6832
   HFS_22           0.847061         0.4442   -0.5296   -0.7226
   HFS_33           0.976395         0.6868    0.7192   -0.1049
   HFS_iso          0.756606

---------------------------------------------------------------------
                             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 -----
        7.5885706527       -1.3069500618        0.4629865860
       -1.3249352415        6.3635267373        0.9283874780
        0.4606253915        0.9101236258        8.1052862014

 ----- G * HFS_ani --> PC -----
      -13.2509997369       -2.1402351219      -31.6693136727
      -32.3068596130        7.1881076275      -11.0913826138
       -8.6253288087        8.0583081689        8.5064896032

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

 ----- GT * HFS -----
       -5.6624290842        4.2232916154      -23.5640274713
      -24.7182889604       13.5516343648       -2.9860964123
       -1.0367581560       14.4218349062       16.6117758047

 ------- PNMR(mu,B) -------
       -5.6624290842        4.2232916154      -23.5640274713
      -24.7182889604       13.5516343648       -2.9860964123
       -1.0367581560       14.4218349062       16.6117758047
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -13.169715         0.9054    0.2786    0.3204
  SIGMA_22          9.173859         0.0175   -0.7785    0.6274
  SIGMA_33         28.496837        -0.4243    0.5624    0.7097
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       7.3525
 PC  =       0.8145
 SUM =       8.1670
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
