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 :    31.770000 ppm 
 User-defined shielding reference value for nuclei of type 6 :   188.100000 ppm 
 Lines coalesce below   1.0000 Hz difference 
 Printlevel : 0  NAtoms 21 

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

----------------------------------------------------- 
 NMR Peaks for atom type 1, ref value  31.7700 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
  12        4.03    9.00 
  14        7.98    1.00 
  14        7.97    1.00 
  15        4.19    9.00 
  20        9.50    1.00 
  20        9.49    1.00 

----------------------------------------------------- 
 NMR Peaks for atom type 6, ref value 188.1000 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   1      163.77    1.00 
   3      165.26    1.00 
   4      120.73    1.00 
   5      160.99    1.00 
   7      145.80    1.00 
   9       40.42    1.00 
  13       37.60    1.00 

----------------------------------------------------- 
 NMR Peaks for atom type 7, ref value 109.1037 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
   0       38.96    2.00 
   2        0.00    2.00 
   6       21.11    2.00 
   8      116.60    2.00 

----------------------------------------------------- 
 NMR Peaks for atom type 8, ref value -15.3540 ppm : 
----------------------------------------------------- 
Atom   shift[ppm]   rel.intensity  
  10       -0.00    5.00 
  11       26.83    5.00 

----------------------------------------------------- 
Total time                               ...      0.129 sec (=   0.002 min)
Time in spin Hamiltonian diagonalization ...      0.000 sec (=   0.000 min)
------------------------------------------------------------------------------

