Reading the GBW file orca_nmr.gbw              ... ... done.
Reading the input file orca.nmrspec           ... ... done.
--------------------------------------------------------------------------- 
NMR Spectrum simulated based on computed shieldings and coupling constants  
--------------------------------------------------------------------------- 

 NMR Shielding File: orca_nmr.property.txt 
 NMR Couplings File: orca_sscc.property.txt 
 Simulated spectrometer frequency :      80.00 MHz 
 Corresponding spectrometer fieldstrength :       1.88 Tesla 
 User-defined shielding reference value for nuclei of type 1 :    31.110000 ppm 
 User-defined shielding reference value for nuclei of type 6 :   179.730000 ppm 
 Lines coalesce below   1.0000 Hz difference 
 Printlevel : 0  NAtoms 24 

Atom 0, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 1, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 2, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 3, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 4, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 5, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 6, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 7, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 8, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 9, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 10, diagonalizing spin Hamiltonian of size 64 ... ... done.
Atom 11, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 12, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 13, diagonalizing spin Hamiltonian of size 32 ... ... done.
Atom 14, diagonalizing spin Hamiltonian of size 64 ... ... done.
Atom 15, diagonalizing spin Hamiltonian of size 32 ... ... done.
Atom 16, diagonalizing spin Hamiltonian of size 16 ... ... done.
Atom 17, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 18, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 19, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 20, diagonalizing spin Hamiltonian of size 16 ... ... done.
Atom 21, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 22, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 23, diagonalizing spin Hamiltonian of size 32 ... ... done.

----------------------------------------------------- 
 NMR Peaks for atom type 1, ref value  31.1100 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
  10        5.97    2.00 
  10        5.90    4.00 
  10        5.94    4.00 
  10        5.87    3.00 
  10        5.95    1.00 
  10        5.92    1.00 
  10        5.85    1.00 
  10        6.00    1.00 
  10        5.99    1.00 
  10        5.84    2.00 
  10        5.77    4.00 
  10        5.81    4.00 
  10        5.74    1.00 
  10        5.82    2.00 
  10        5.79    1.00 
  10        5.73    1.00 
  11        2.07    8.00 
  11        2.00    5.00 
  11        2.30    7.00 
  11        2.24    8.00 
  11        1.93    5.00 
  11        2.16    7.00 
  11        2.05    5.00 
  11        1.98    7.00 
  11        2.28    6.00 
  11        2.21    9.00 
  11        1.96    6.00 
  11        1.90    4.00 
  11        2.19    4.00 
  11        2.13    7.00 
  11        2.03    5.00 
  11        2.26    6.00 
  11        1.95    1.00 
  11        1.88    2.00 
  11        2.18    2.00 
  11        2.12    6.00 
  11        1.85    3.00 
  11        2.10    2.00 
  11        2.34    6.00 
  12        2.51    6.00 
  12        2.48    7.00 
  12        2.37    5.00 
  12        2.44    7.00 
  12        2.41    7.00 
  12        2.56    6.00 
  13        1.57    5.00 
  13        1.49    2.00 
  13        1.43    2.00 
  13        1.35    2.00 
  13        1.72    3.00 
  13        1.64    4.00 
  13        1.59    3.00 
  13        1.51    1.00 
  13        1.41    1.00 
  13        1.34    1.00 
  13        1.27    1.00 
  13        1.19    1.00 
  14        1.68    3.00 
  14        1.65    2.00 
  14        1.61    3.00 
  14        1.82    4.00 
  14        1.80    4.00 
  14        1.78    3.00 
  14        1.76    3.00 
  14        1.74    2.00 
  14        1.55    1.00 
  14        1.53    1.00 
  14        1.70    2.00 
  16        5.67    4.00 
  16        5.59    2.00 
  16        5.46    2.00 
  16        5.53    5.00 
  16        5.32    1.00 
  17        5.05    2.00 
  17        4.84    2.00 
  17        5.00    2.00 
  17        4.79    2.00 
  18        5.08    1.00 
  18        4.95    1.00 
  18        5.04    1.00 
  18        4.90    1.00 
  19        2.74    3.00 
  19        2.77    1.00 
  19        2.69    2.00 
  19        2.67    2.00 
  19        2.71    3.00 
  19        2.63    5.00 
  19        2.66    3.00 
  19        2.57    4.00 
  19        2.61    3.00 
  19        2.59    4.00 
  19        2.54    4.00 
  19        2.64    1.00 
  19        2.52    2.00 
  19        2.47    2.00 
  19        2.49    1.00 
  19        2.39    2.00 
  19        2.42    1.00 
  20        5.65    3.00 
  20        5.44    1.00 
  20        5.30    2.00 
  20        5.39    1.00 
  20        5.17    1.00 
  22        5.11    1.00 
  22        4.98    1.00 
  22        5.06    1.00 
  22        4.93    1.00 
  23        5.52    2.00 
  23        5.68    2.00 
  23        5.56    2.00 
  23        5.71    1.00 
  23        5.62    1.00 
  23        5.49    1.00 

----------------------------------------------------- 
 NMR Peaks for atom type 6, ref value 179.7300 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   0      135.24    1.00 
   1       31.15    1.00 
   2       34.06    1.00 
   3       52.33    1.00 
   4      151.22    1.00 
   5      118.67    1.00 
   6       54.94    1.00 
   7      150.28    1.00 
   8      119.75    1.00 
   9      138.06    1.00 

----------------------------------------------------- 
Total time                               ...      0.021 sec (=   0.000 min)
Time in spin Hamiltonian diagonalization ...      0.006 sec (=   0.000 min)
------------------------------------------------------------------------------

