Dateien nach "Butadien/p_{0,4}" hochladen

2026-08-27 13:34:11 +02:00
parent 43a23e6a01
commit 9d235f5bf7
2 changed files with 120 additions and 3 deletions
@@ -5,7 +5,15 @@ 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 7} end
+2 {1 6} end
+3 {2 5} end
+4 {3 4} end
+5 {8 16} end
+6 {9 17} end
+7 {10 15} end
+8 {11 14} end
+9 {12 13} end
+end                                   #end equiv nucl block
 END                                   #essential end of input