---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -2.1871146751       -0.1592709907        0.1760281581
       -0.3094368833        1.6271150568       -3.2501100672
        0.2901553927       -3.1414978227        0.3736036831


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

   Component         Value                Principal Axis 
   HFS_11          -2.270725        -0.4205    0.5600    0.7139
   HFS_22          -2.189474        -0.9059   -0.3032   -0.2957
   HFS_33           4.273803         0.0509   -0.7710    0.6348
   HFS_iso         -0.062132


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

   Component         Value                Principal Axis 
   HFS_11           2.183851         0.9048    0.2662    0.3325
   HFS_22           2.270681         0.4259   -0.5546   -0.7149
   HFS_33           4.279471         0.0059   -0.7884    0.6152
   HFS_iso          2.911334

---------------------------------------------------------------------
                             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 -----
        1.8560094240       -0.3196532974        0.1132370648
       -0.3240521051        1.5563886976        0.2270646196
        0.1126595648        0.2225976543        1.9823874960

 ----- G * HFS_ani --> PC -----
       62.3277200430       -9.4494948811       -3.0306201145
       21.7669920405      -32.2631064972       96.3334424215
      -27.5855965912       77.2915355976       -2.9506587217

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

 ----- GT * HFS -----
       64.1837294670       -7.8931061835       -1.0482326185
       23.6230014645      -30.7067177996       98.3158299175
      -25.7295871671       78.8479242951       -0.9682712257

 ------- PNMR(mu,B) -------
       64.1837294670       -7.8931061835       -1.0482326185
       23.6230014645      -30.7067177996       98.3158299175
      -25.7295871671       78.8479242951       -0.9682712257
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11       -106.914529         0.0854   -0.7590    0.6454
  SIGMA_22         63.041203        -0.9023   -0.3336   -0.2730
  SIGMA_33         76.382066        -0.4225    0.5591    0.7134
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       1.7983
 PC  =       9.0380
 SUM =      10.8362
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
