---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
        2.4614656193        2.7765966406        0.6537883537
        2.9296283033       -0.4856420616        0.3618633176
        0.5331300044        0.2675887101       -2.1674554186


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

   Component         Value                Principal Axis 
   HFS_11          -2.270581        -0.4017    0.5076    0.7622
   HFS_22          -2.189996         0.3413   -0.6894    0.6390
   HFS_33           4.268946         0.8498    0.5168    0.1036
   HFS_iso         -0.063877


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

   Component         Value                Principal Axis 
   HFS_11           2.184411         0.3828   -0.6591    0.6473
   HFS_22           2.270546        -0.4000    0.5134    0.7593
   HFS_33           4.274567         0.8328    0.5495    0.0671
   HFS_iso          2.909841

---------------------------------------------------------------------
                             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 -----
        1.9081453648       -0.3286324680        0.1164179328
       -0.3331548397        1.6001081895        0.2334429425
        0.1158242106        0.2288504987        2.0380734401

 ----- G * HFS_ani --> PC -----
      -62.1411688067      -60.8317611360      -37.5311949523
      -92.6111711038       24.3408529511      -17.1482263816
      -12.5081143385        2.2049406406       65.1673596060

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

 ----- GT * HFS -----
      -60.2330234418      -59.2316529465      -35.4931215121
      -90.7030257390       25.9409611406      -15.1101529415
      -10.5999689736        3.8050488301       67.2054330462

 ------- PNMR(mu,B) -------
      -60.2330234418      -59.2316529465      -35.4931215121
      -90.7030257390       25.9409611406      -15.1101529415
      -10.5999689736        3.8050488301       67.2054330462
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11       -106.602925        -0.8606   -0.4923   -0.1301
  SIGMA_22         63.150124        -0.2855    0.6781   -0.6773
  SIGMA_33         76.366172         0.4217   -0.5457   -0.7241
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =       1.8488
 PC  =       9.1223
 SUM =      10.9711
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
