From 7f482ca95ce0c421b078237007e9585bd4f0ab31 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Fri, 24 Oct 2014 10:57:57 +0200 Subject: [PATCH] Now good basis file --- data/basis/cc-pvdz | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/data/basis/cc-pvdz b/data/basis/cc-pvdz index 49491df9..edee47f2 100644 --- a/data/basis/cc-pvdz +++ b/data/basis/cc-pvdz @@ -318,7 +318,7 @@ P 1 D 1 1 0.0973000 1.0000000 -Mn +Mg S 11 1 47390.0000000 0.346023D-03 2 7108.0000000 0.268077D-02 @@ -1604,7 +1604,7 @@ F 2 1 2.221100E+00 4.235450E-01 2 5.231000E-01 7.741140E-01 -Mg +Mn S 19 1 3.960805E+06 8.242127E-06 2 5.931155E+05 6.408587E-05