Dateien nach "Butadien/p_{0,2}" hochladen

2026-08-27 13:08:46 +02:00
parent 6c603075fe
commit be9a1d0e9f
2 changed files with 165 additions and 1 deletions
@@ -5,7 +5,7 @@ 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                             
+#NMREquiv   
                    
 #end                                   #end equiv nucl block
 END                                   #essential end of input