From b0288d020800b5888586f18b4f1f5834072fbed1 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 20 Dec 2021 18:20:10 +0100
Subject: [PATCH] Fix previous commit

---
 resultsFile/Modules/gaussianFile.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/resultsFile/Modules/gaussianFile.py b/resultsFile/Modules/gaussianFile.py
index 68f480e..09487f1 100755
--- a/resultsFile/Modules/gaussianFile.py
+++ b/resultsFile/Modules/gaussianFile.py
@@ -650,9 +650,9 @@ class gaussianFile(resultsFile.resultsFileX):
         bdict = {"S": 0, "P": 1, "D": 2, "F": 3, "G": 4, "H": 5}
         while pos < end:
           ecp = {}
-          center, _, valence = [int(x) for x in text[pos].split()]
+          center, number, valence = [int(x) for x in text[pos].split()]
           ecp["atom"] = center
-          ecp["zcore"] = valence
+          ecp["zcore"] = number - valence
           ecp["lmax"] = 0
           pos += 1
           l = 0