updated data on top

2020-03-23 16:02:56 +01:00 · 2020-03-23 16:02:56 +01:00 · 0dd27a081a
commit 0dd27a081a
parent a2f517df5e
1 changed files with 2 additions and 2 deletions
--- a/new/data_on_top/data
+++ b/new/data_on_top/data
@ -17,7 +17,7 @@ N2    0.592422   0.419336
 O2
        CAS      CIPSI 
 avdz  
-O2    1.164428            
+O2    1.164428  0.97121
 O     0.513919  0.41604
 ------------------------
 avtz  
@ -25,5 +25,5 @@ O2    1.166676
 O     0.516070  0.37689
 ------------------------
 avqz  
-O2    1.167688           
+O2    1.167688  0.84136         
 O     0.516288  0.36249