diff --git a/new/data_on_top/data b/new/data_on_top/data index b1ec59e..698c8b9 100644 --- a/new/data_on_top/data +++ b/new/data_on_top/data @@ -2,7 +2,7 @@ N2 CAS CAS-extrap CIPSI CIPSI-extrap avdz -N2 0.58771 0.32983 0.51397 +N2 0.58771 0.32983 0.51397 0.29114 N 0.17232 0.09811 0.12742 0.07343 ------------- ---------- ------------------------- avtz