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 15 

Atom 0, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 1, diagonalizing spin Hamiltonian of size 6 ... ... 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 6 ... ... 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 8 ... ... done.
Atom 11, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 12, diagonalizing spin Hamiltonian of size 2 ... ... done.
Atom 13, diagonalizing spin Hamiltonian of size 8 ... ... done.
Atom 14, diagonalizing spin Hamiltonian of size 8 ... ... done.

----------------------------------------------------- 
 NMR Peaks for atom type 1, ref value  31.1100 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   9        9.96    1.00 
  10        7.86    4.00 
  10        7.83    2.00 
  10        7.78    2.00 
  10        7.75    4.00 
  11        6.73    2.00 
  11        6.70    4.00 
  11        6.67    4.00 
  11        6.65    2.00 
  12        4.75    1.00 
  13        6.76    2.00 
  13        6.62    2.00 
  14        7.80    4.00 

----------------------------------------------------- 
 NMR Peaks for atom type 6, ref value 179.7300 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   0      191.53    1.00 
   2      135.08    1.00 
   3      137.69    4.00 
   4      118.46    4.00 
   5      168.28    1.00 

----------------------------------------------------- 
 NMR Peaks for atom type 8, ref value 179.9576 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   1      458.18    5.00 
   6       -0.00    5.00 

----------------------------------------------------- 
Total time                               ...      0.008 sec (=   0.000 min)
Time in spin Hamiltonian diagonalization ...      0.000 sec (=   0.000 min)
------------------------------------------------------------------------------

