****  G H O S T : Gh(1)
 
                 COORDINATES (ANGSTROMS) 
                 -------------------------------------
                       2.4257      0.0000      1.0000
 Internal NMR numbering of atoms: Gh(25)
 
 
================================================================================
 
 
===  PARAMAGNETIC NMR SHIELDING TENSORS (ppm)
 
    ===     paramagnetic b^(1) tensor       ===     paramagnetic u^(1) tensor
    -----------------------------------     -----------------------------------
           0.000     0.000     0.000              -3.336     0.000   -32.748
           0.000     0.000     0.000               0.000    -0.646     0.000
           0.000     0.000     0.000             -32.748     0.000   -70.095
    -----------------------------------     -----------------------------------
              isotropic =      0.000                  isotropic =    -24.692

    ===     paramagnetic s^(1) tensor       ===     paramagnetic gauge tensor
    -----------------------------------     -----------------------------------
           0.987     0.000    26.310               0.000     0.000     8.346
           0.000     1.181     0.000               0.000     0.000     0.000
          26.310     0.000    74.518               8.346     0.000    31.993
    -----------------------------------     -----------------------------------
              isotropic =     25.562                  isotropic =     10.664

                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total paramagnetic tensor
                        -----------------------------------
                              -2.349     0.000     1.909
                               0.000     0.535     0.000
                               1.909     0.000    36.415
                        -----------------------------------
                                  isotropic =     11.534

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                              -2.443     0.535    36.509
 
                        ==== Principal Axis System:

                               0.999     0.000     0.049
                               0.000     1.000     0.000
                              -0.049     0.000     0.999
                        -----------------------------------
 
================================================================================
 
 
===  DIAMAGNETIC NMR SHIELDING TENSORS (ppm)
 
    ===       diamagnetic core tensor       ===    diamagnetic valence tensor
    -----------------------------------     -----------------------------------
           0.000     0.000     0.000               3.059    -0.003     1.122
           0.000     0.000     0.000              -0.003     0.980     0.004
           0.000     0.000     0.000               1.122     0.004    -8.954
    -----------------------------------     -----------------------------------
              isotropic =      0.000                  isotropic =     -1.638

                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total diamagnetic tensor
                        -----------------------------------
                               3.059    -0.003     1.122
                              -0.003     0.980     0.004
                               1.122     0.004    -8.954
                        -----------------------------------
                                  isotropic =     -1.638

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                              -9.058     0.980     3.163
 
                        ==== Principal Axis System:

                              -0.092    -0.001    -0.996
                               0.000    -1.000     0.001
                               0.996     0.000    -0.092
                        -----------------------------------
 
================================================================================
 
 
===  TOTAL NMR SHIELDING TENSOR (ppm)
 
                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total shielding tensor
                        -----------------------------------
                               0.709    -0.003     3.031
                              -0.003     1.515     0.004
                               3.031     0.004    27.461
                        -----------------------------------
                                  isotropic =      9.895

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                               0.370     1.515    27.800
 
                        ==== Principal Axis System:

                              -0.994     0.003     0.111
                              -0.003    -1.000     0.000
                               0.111     0.000     0.994
                        -----------------------------------
################################################################################
********************************************************************************
****  G H O S T : Gh(2)
 
                 COORDINATES (ANGSTROMS) 
                 -------------------------------------
                       0.0000      0.0000      1.0000
 Internal NMR numbering of atoms: Gh(26)
 
 
================================================================================
 
 
===  PARAMAGNETIC NMR SHIELDING TENSORS (ppm)
 
    ===     paramagnetic b^(1) tensor       ===     paramagnetic u^(1) tensor
    -----------------------------------     -----------------------------------
           0.000     0.000     0.000              -4.561     0.000    -0.001
           0.000     0.000     0.000               0.000    -0.124     0.000
           0.000     0.000     0.000              -0.001     0.000   -93.383
    -----------------------------------     -----------------------------------
              isotropic =      0.000                  isotropic =    -32.689

    ===     paramagnetic s^(1) tensor       ===     paramagnetic gauge tensor
    -----------------------------------     -----------------------------------
           1.028     0.000     0.002               0.000     0.000    -0.002
           0.000     0.870     0.000               0.000     0.000     0.000
           0.002     0.000    96.702              -0.002     0.000    38.733
    -----------------------------------     -----------------------------------
              isotropic =     32.867                  isotropic =     12.911

                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total paramagnetic tensor
                        -----------------------------------
                              -3.533     0.000    -0.001
                               0.000     0.746     0.000
                              -0.001     0.000    42.052
                        -----------------------------------
                                  isotropic =     13.088

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                              -3.533     0.746    42.052
 
                        ==== Principal Axis System:

                               1.000     0.000     0.000
                               0.000     1.000     0.000
                               0.000     0.000     1.000
                        -----------------------------------
 
================================================================================
 
 
===  DIAMAGNETIC NMR SHIELDING TENSORS (ppm)
 
    ===       diamagnetic core tensor       ===    diamagnetic valence tensor
    -----------------------------------     -----------------------------------
           0.000     0.000     0.000               4.548     0.000     0.001
           0.000     0.000     0.000               0.000     1.408     0.000
           0.000     0.000     0.000               0.001     0.000    -8.513
    -----------------------------------     -----------------------------------
              isotropic =      0.000                  isotropic =     -0.852

                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total diamagnetic tensor
                        -----------------------------------
                               4.548     0.000     0.001
                               0.000     1.408     0.000
                               0.001     0.000    -8.513
                        -----------------------------------
                                  isotropic =     -0.852

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                              -8.513     1.408     4.548
 
                        ==== Principal Axis System:

                               0.000     0.000     1.000
                               0.000     1.000     0.000
                               1.000     0.000     0.000
                        -----------------------------------
 
================================================================================
 
 
===  TOTAL NMR SHIELDING TENSOR (ppm)
 
                        ***********************************
                        CARTESIAN AXIS REPRESENTATION

                        ==== total shielding tensor
                        -----------------------------------
                               1.015     0.000     0.000
                               0.000     2.154     0.000
                               0.000     0.000    33.539
                        -----------------------------------
                                  isotropic =     12.236

                        ***********************************
                        -----------------------------------
                        PRINCIPAL AXIS REPRESENTATION

                        ==== Principal components:

                               1.015     2.154    33.539
 
                        ==== Principal Axis System:

                               1.000     0.000     0.000
                               0.000    -1.000     0.000
                               0.000     0.000     1.000
                        -----------------------------------