Dateien nach "Butadien/p_{0,1}" hochladen

2026-08-27 11:57:41 +02:00
parent 17795ae060
commit 9f40c68e28
2 changed files with 102 additions and 3 deletions
@@ -5,7 +5,13 @@ 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                             
-                    
-#end                                   #end equiv nucl block
+NMREquiv                             
+1 {0 5} end
+2 {1 4} end
+3 {2 3} end
+4 {6 13} end
+5 {7 12} end
+6 {8 11} end
+7 {9 10} end
+end                                   #end equiv nucl block
 END                                   #essential end of input