diff --git a/Big_data/Mixed_core/vqz/data_LDA_vqz b/Big_data/Mixed_core/vqz/data_LDA_vqz
index a0caca6..2ea479f 100644
--- a/Big_data/Mixed_core/vqz/data_LDA_vqz
+++ b/Big_data/Mixed_core/vqz/data_LDA_vqz
@@ -9,7 +9,6 @@ CH2_1A1 -0.0273506173 -0.0064476154
 CH2_3B1 -0.0263060521 -0.0054322983
 CH3 -0.0273519911 -0.0068686778
 CH3Cl -0.2626543069 -0.0262658191
-CH3SH -0.2572885998 -0.0208586533
 CH4 -0.0279868497 -0.0078736192
 CN -0.0576936373 -0.0157170722
 CO -0.0630029244 -0.0212213553
@@ -27,6 +26,7 @@ H2O -0.0364858227 -0.0160675916
 H2O2 -0.0721186696 -0.0310657487
 H2S -0.2293728691 -0.0131299463
 H3COH -0.0641087935 -0.0234083920
+H3CSH -0.2572885998 -0.0208586533
 HCN -0.0585180297 -0.0169727834
 HCO -0.0629753162 -0.0214884420
 HCl -0.2345852938 -0.0184651797
diff --git a/Big_data/Mixed_core/vqz/data_PBE_vqz b/Big_data/Mixed_core/vqz/data_PBE_vqz
index 11c2ff5..5ace323 100644
--- a/Big_data/Mixed_core/vqz/data_PBE_vqz
+++ b/Big_data/Mixed_core/vqz/data_PBE_vqz
@@ -9,7 +9,6 @@ CH2_1A1 -0.0299947781 -0.0055548334
 CH2_3B1 -0.0290123543 -0.0045512961
 CH3 -0.0300637798 -0.0059188867
 CH3Cl -0.3362109603 -0.0231027974
-CH3SH -0.3251738923 -0.0179824470
 CH4 -0.0306484411 -0.0068537405
 CN -0.0642640780 -0.0138051861
 CO -0.0710644045 -0.0192981444
@@ -27,6 +26,7 @@ H2O -0.0416065327 -0.0146987077
 H2O2 -0.0824182367 -0.0284520627
 H2S -0.2946185471 -0.0112467882
 H3COH -0.0719417428 -0.0211220318
+H3CSH -0.3251738923 -0.0179824470
 HCN -0.0650928015 -0.0150039298
 HCO -0.0709511479 -0.0194389586
 HCl -0.3055208427 -0.0162991971