diff --git a/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec b/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec
index f0fec72..6b7275e 100644
--- a/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec
+++ b/Vanilla/3,4-Dihydroxybenzaldehyd/orca.nmrspec
@@ -3,9 +3,9 @@ NMRCouplingFile  = "orca_sscc"  #property file for couplings
 NMRSpecFreq = 80.00                   #spectrometer freq [MHz] (default 400)
 PrintLevel = 0                        #PrintLevel for debugging info
 NMRCoal = 1.0                         #threshold for merged lines [Hz] (default 1)
-NMRREF[1] 31.77                      
-NMRREF[6] 188.10
+NMRREF[1] 31.11                         #31.77
+NMRREF[6] 179.73                        #188.10
 #NMREquiv                             
-                    
+               
 #end                                   #end equiv nucl block
 END                                   #essential end of input