---------------------------------------------------------------------
        Collecting the numbers for calculating of PNMR               
---------------------------------------------------------------------
 --- TEMPERATURE ----
     293.00000
 ------ GVALUE ------
       1.40482
 --- 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]                            
---------------------------------------------------------------------
       -0.8580357507       -0.3424790558        0.2013750306
        0.1833582758       -0.9305033906        0.2377855022
       -0.2086675750       -0.0721905155       -0.8252592939


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

   Component         Value                Principal Axis 
   HFS_11          -1.008349        -0.4286   -0.8264    0.3652
   HFS_22          -0.847503        -0.7772    0.1311   -0.6154
   HFS_33          -0.757946        -0.4607    0.5476    0.6985
   HFS_iso         -0.871266


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

   Component         Value                Principal Axis 
   HFS_11           0.758033         0.4451   -0.5532   -0.7042
   HFS_22           0.917634        -0.6891    0.2906   -0.6639
   HFS_33           1.078521         0.5718    0.7808   -0.2518
   HFS_iso          0.918063

---------------------------------------------------------------------
                             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 -----
      103.4835057736      -17.8225624369        6.3136362884
      -18.0678219897       86.7778776799       12.6601958833
        6.2814372483       12.4111361406      110.5298309541

 ----- G * HFS_ani --> PC -----
      -10.1253823247      -73.0875523761     -124.8822427592
     -146.2722239355        6.2635379058     -128.5033212808
      -74.2465826689      -72.1004402976       -3.2753852051

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

 ----- GT * HFS -----
       93.3581234490       13.6903253038      -14.3524118051
      -42.7887181619       93.0414155857      -17.9734903267
       29.2369231047       14.6774373823      107.2544457490

 ------- PNMR(mu,B) -------
       93.3581234490       13.6903253038      -14.3524118051
      -42.7887181619       93.0414155857      -17.9734903267
       29.2369231047       14.6774373823      107.2544457490
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         78.056105         0.7178    0.6810   -0.1445
  SIGMA_22        101.413547         0.4160   -0.5860   -0.6954
  SIGMA_33        114.184333         0.5583   -0.4390    0.7040
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =     100.2637
 PC  =      -2.3791
 SUM =      97.8847
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
