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