Dateien nach "Butadien/Butadien" hochladen

2026-08-27 11:51:10 +02:00
parent 884da0be60
commit 559821fb4a
1 changed files with 7 additions and 3 deletions
@@ -5,7 +5,11 @@ 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  
-                    
+1 {0 3} end
-#end                                   #end equiv nucl block
+2 {1 2} end
 3 {4 8} end
 4 {5 9} end
 5 {6 7} end                    
 end                                   #end equiv nucl block
 END                                   #essential end of input