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 20 

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 128 ... ... done.
Atom 9, diagonalizing spin Hamiltonian of size 256 ... ... done.
Atom 10, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 11, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 12, diagonalizing spin Hamiltonian of size 32 ... ... done.
Atom 13, diagonalizing spin Hamiltonian of size 256 ... ... done.
Atom 14, diagonalizing spin Hamiltonian of size 16 ... ... done.
Atom 15, diagonalizing spin Hamiltonian of size 16 ... ... done.
Atom 16, diagonalizing spin Hamiltonian of size 16 ... ... done.
Atom 17, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 18, diagonalizing spin Hamiltonian of size 128 ... ... done.
Atom 19, diagonalizing spin Hamiltonian of size 64 ... ... done.

----------------------------------------------------- 
 NMR Peaks for atom type 1, ref value  31.1100 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   8        5.94   11.00 
   8        5.87    3.00 
   8        5.85    9.00 
   8        5.81   19.00 
   8        5.96    5.00 
   8        5.72    7.00 
   8        5.80    4.00 
   8        5.92    2.00 
   8        5.90    5.00 
   8        6.02    2.00 
   8        5.78    6.00 
   8        5.99    4.00 
   8        6.06    1.00 
   8        5.74    4.00 
   8        5.69    6.00 
   8        5.67    2.00 
   8        5.65    1.00 
   8        5.83    2.00 
   8        5.71    3.00 
   8        5.86    1.00 
   9        2.32   23.00 
   9        2.25   32.00 
   9        2.56    3.00 
   9        2.53    6.00 
   9        2.18   21.00 
   9        2.50    6.00 
   9        2.46   10.00 
   9        2.20   13.00 
   9        2.12   25.00 
   9        2.43   17.00 
   9        2.39   21.00 
   9        2.02   18.00 
   9        1.94   10.00 
   9        2.34   10.00 
   9        2.29   25.00 
   9        2.44    2.00 
   9        2.38    8.00 
   9        2.04   15.00 
   9        2.13    5.00 
   9        1.97   12.00 
   9        2.22   15.00 
   9        2.14   16.00 
   9        2.48    6.00 
   9        2.08   16.00 
   9        1.96    7.00 
   9        2.10   11.00 
   9        2.30   12.00 
   9        1.92   10.00 
   9        1.87    9.00 
   9        2.59    2.00 
   9        2.27   10.00 
   9        2.36   15.00 
   9        1.99    6.00 
   9        2.01    5.00 
   9        2.24    4.00 
   9        2.17    6.00 
  10        2.06    6.00 
  10        2.41    6.00 
  11        1.77    4.00 
  11        1.84    7.00 
  11        1.89    7.00 
  11        1.83    5.00 
  11        1.81    6.00 
  11        1.73    4.00 
  11        1.79    9.00 
  12        1.50    4.00 
  12        1.37    1.00 
  12        1.40    1.00 
  12        1.27    3.00 
  12        1.65    7.00 
  12        1.42    3.00 
  12        1.66    1.00 
  12        1.35    1.00 
  12        1.22    1.00 
  12        1.25    1.00 
  12        1.12    1.00 
  12        1.51    1.00 
  14        6.40    1.00 
  14        6.35    1.00 
  14        6.16    1.00 
  14        6.11    1.00 
  14        6.27    1.00 
  14        6.22    1.00 
  15        5.12    3.00 
  15        5.15    1.00 
  15        4.88    2.00 
  15        4.91    2.00 
  15        5.08    2.00 
  15        4.84    1.00 
  16        5.09    1.00 
  16        4.96    1.00 
  16        4.99    1.00 
  16        5.05    1.00 
  16        4.95    1.00 
  18        1.59    2.00 
  18        1.68    2.00 
  18        1.62    6.00 
  18        1.44    1.00 
  18        1.53    1.00 
  18        1.75    1.00 
  18        1.71    1.00 
  18        1.61    1.00 
  18        1.56    1.00 
  18        1.47    1.00 
  19        5.57    1.00 

----------------------------------------------------- 
 NMR Peaks for atom type 6, ref value 179.7300 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   0      135.43    1.00 
   1       31.80    1.00 
   2       29.20    1.00 
   3       42.60    1.00 
   4      152.20    1.00 
   5      114.57    1.00 
   6       38.56    1.00 
   7      134.81    1.00 

----------------------------------------------------- 
Total time                               ...      0.037 sec (=   0.001 min)
Time in spin Hamiltonian diagonalization ...      0.020 sec (=   0.000 min)
------------------------------------------------------------------------------

