---------------------------------------------------------------------
        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]                            
---------------------------------------------------------------------
       -0.8776062629        0.1726824053       -0.2072711348
       -0.3477587487       -0.9241425361       -0.0867047576
        0.2016582186        0.2296476512       -0.8155465592


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

   Component         Value                Principal Axis 
   HFS_11          -1.008051        -0.5292   -0.7979    0.2885
   HFS_22          -0.848815        -0.7355    0.2619   -0.6248
   HFS_33          -0.760430        -0.4230    0.5429    0.7255
   HFS_iso         -0.872432


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

   Component         Value                Principal Axis 
   HFS_11           0.760455        -0.4255    0.5489    0.7195
   HFS_22           0.918631        -0.8189    0.1049   -0.5643
   HFS_33           1.077874        -0.3852   -0.8293    0.4049
   HFS_iso          0.918987

---------------------------------------------------------------------
                             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 -----
      103.6219532708      -17.8464067118        6.3220831142
      -18.0919943901       86.8939752153       12.6771335819
        6.2898409959       12.4277406296      110.6777055197

 ----- G * HFS_ani --> PC -----
        5.6899130279     -119.0927871937      -80.5326834600
      -80.8565993662       -0.7282485651      -83.7296711907
     -116.9316199869      -94.0242995753      -12.0148079479

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

 ----- GT * HFS -----
      109.3118662987      -32.1988119784       30.1450220596
       22.7653539046       86.1657266502       26.9480343290
      -13.3096667161       -7.1303243600       98.6628975717

 ------- PNMR(mu,B) -------
      109.3118662987      -32.1988119784       30.1450220596
       22.7653539046       86.1657266502       26.9480343290
      -13.3096667161       -7.1303243600       98.6628975717
  
  The values of the principal components of PNMR-tensor
  
  Component          Value             Principal Axis 
---------------------------------------------------------------------
  SIGMA_11         78.449640         0.2644    0.8179   -0.5110
  SIGMA_22        101.723871        -0.4212    0.5746    0.7017
  SIGMA_33        113.966980         0.8676    0.0298    0.4964
---------------------------------------------------------------------

 ISOTROPIC pNMR shielding contributions: 
 Orb =       0.0000
 FC  =     100.3979
 PC  =      -2.3510
 SUM =      98.0468
  
 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************
