diff --git a/Ref/data_HF_LDA_VTZ b/Ref/data_HF_LDA_VTZ index 922c305..dcc2ca2 100644 --- a/Ref/data_HF_LDA_VTZ +++ b/Ref/data_HF_LDA_VTZ @@ -44,13 +44,13 @@ OH 447.50 448.30 P2 485.14 489.29 PH2 644.21 645.47 PH3 1010.33 1012.24 -S2 -SO -SO2 -Si2 -Si2H6 -SiH2_1A1 -SiH2_3B1 -SiH3 -SiH4 -SiO +S2 431.42 433.94 +SO 526.33 528.72 +SO2 1086.86 1091.61 +Si2 431.42 433.94 +Si2H6 2626.11 2631.54 +SiH2_1A1 642.99 643.11 +SiH2_3B1 557.56 555.72 +SiH3 954.30 953.44 +SiH4 1358.08 1357.91 +SiO 804.83 809.19