---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.4002547857        0.5694935645        0.0106705689
        0.6023293077        0.4044444168       -0.8589038791
       -0.0243732030       -0.8817836066       -0.4809752531


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

   Component         Value                Principal Axis 
   HFS_11          -1.156752         0.4251   -0.5572   -0.7133
   HFS_22          -0.430581         0.8453   -0.0375    0.5330
   HFS_33           1.110548        -0.3238   -0.8295    0.4550
   HFS_iso         -0.158929


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

   Component         Value                Principal Axis 
   HFS_11           0.429570        -0.8562    0.0042   -0.5166
   HFS_22           1.111511         0.2759    0.8492   -0.4503
   HFS_33           1.156814        -0.4368    0.5280    0.7283
   HFS_iso          0.899298

---------------------------------------------------------------------
                             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 -----
       18.8765311826       -3.2510316797        1.1516767951
       -3.2957697233       15.8292406286        2.3093591639
        1.1458033355        2.2639279237       20.1618585011

 ----- G * HFS_ani --> PC -----
       40.3961153653      -80.8902360463      -26.8902883284
      -75.8379638351      -31.5555528901       78.5579957414
      -30.7999473886       78.3490616416       53.8448620727

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

 ----- GT * HFS -----
       59.2726465479      -65.0609954177       -6.7284298272
      -56.9614326525      -15.7263122615       98.7198542426
      -11.9234162060       94.1783022702       74.0067205738

 ------- PNMR(mu,B) -------
       59.2726465479      -65.0609954177       -6.7284298272
      -56.9614326525      -15.7263122615       98.7198542426
      -11.9234162060       94.1783022702       74.0067205738
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -92.182289        -0.3060   -0.8308    0.4650
  SIGMA_22         55.022622        -0.8517    0.0207   -0.5236
  SIGMA_33        154.712722        -0.4253    0.5563    0.7139
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      18.2892
 PC  =      20.8951
 SUM =      39.1844
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
