NMRShieldingFile = "orca_nmr"   #property file for shieldings
NMRCouplingFile  = "orca_sscc"  #property file for couplings
NMRSpecFreq = 100.00                   #spectrometer freq [MHz] (default 400)
PrintLevel = 0                        #PrintLevel for debugging info
NMRCoal = 1.0                         #threshold for merged lines 
NMRREF[1] 31.11                                      
NMRREF[6] 179.73                      
#NMREquiv                             
                    
#end                                   #end equiv nucl block
END                                   #essential end of input