---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        0.0847909276        0.9278605055        0.0097839143
        0.8842252335        0.1776286182       -0.5150200382
        0.0392559487       -0.4955661840       -0.7361312740


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

   Component         Value                Principal Axis 
   HFS_11          -1.149874        -0.4257    0.5608    0.7101
   HFS_22          -0.431170         0.6315   -0.3780    0.6770
   HFS_33           1.107332         0.6481    0.7366   -0.1933
   HFS_iso         -0.157904


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

   Component         Value                Principal Axis 
   HFS_11           0.430021         0.6045   -0.4082    0.6841
   HFS_22           1.108257        -0.6406   -0.7596    0.1128
   HFS_33           1.150098        -0.4736    0.5064    0.7206
   HFS_iso          0.896126

---------------------------------------------------------------------
                             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 -----
       18.7548319335       -3.2300718905        1.1442517974
       -3.2745215026       15.7271876254        2.2944704498
        1.1384162047        2.2493321103       20.0318725935

 ----- G * HFS_ani --> PC -----
       -9.6548582917     -106.5467423498      -35.3700666674
     -116.3809123594       -7.9948675105       36.3155344714
      -28.3870005125       44.9202380233       80.2710979172

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

 ----- GT * HFS -----
        9.0999736418      -90.8195547244      -15.3381940739
      -97.6260804259        7.7323201149       56.3474070649
       -9.6321685790       60.6474256486      100.3029705107

 ------- PNMR(mu,B) -------
        9.0999736418      -90.8195547244      -15.3381940739
      -97.6260804259        7.7323201149       56.3474070649
       -9.6321685790       60.6474256486      100.3029705107
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11        -91.782908         0.6595    0.7299   -0.1794
  SIGMA_22         55.126976         0.6195   -0.3927    0.6797
  SIGMA_33        153.791197        -0.4257    0.5594    0.7112
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =      18.1713
 PC  =      20.8738
 SUM =      39.0451
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
