NMRShieldingFile = "orca_nmr"   #property file for shieldings
NMRCouplingFile  = "orca_sscc"  #property file for couplings
NMRSpecFreq = 80.00                   #spectrometer freq [MHz] (default 400)
PrintLevel = 0                        #PrintLevel for debugging info
NMRCoal = 1.0                         #threshold for merged lines [Hz] (default 1)
NMRREF[1] 31.11                         #31.77
NMRREF[6] 179.73                        #188.10
NMREquiv                             
1 {0 9} end
2 {1 8} end
3 {2 7} end
4 {3 6} end
5 {4 5} end
6 {10 21} end
7 {11 20} end
8 {12 19} end
9 {13 18} end
10 {14 17} end
11 {15 16} end
end                                   #end equiv nucl block
END                                   #essential end of input