diff --git a/new/data_on_top/data b/new/data_on_top/data index b148160..57dfbb5 100644 --- a/new/data_on_top/data +++ b/new/data_on_top/data @@ -21,7 +21,7 @@ O2 1.164428 0.97121 O 0.513919 0.41604 ------------------------ avtz -O2 1.166676 +O2 1.166676 0.88440 O 0.516070 0.37689 ------------------------ avqz