diff --git a/Ref/data_HF_LDA_VTZ b/Ref/data_HF_LDA_VTZ index 25ac430..922c305 100644 --- a/Ref/data_HF_LDA_VTZ +++ b/Ref/data_HF_LDA_VTZ @@ -22,28 +22,28 @@ H2O 973.05 974.94 H2O2 1124.05 1126.34 H2S 766.92 768.72 H3COH 2141.49 2147.84 -H3CSH -HCN +H3CSH 4016.15 4038.49 +HCN 1303.41 1310.97 HCO -HCl -HF -HOCl -Li2 -LiF -LiH -N2 -N2H4 -NH -NH2 -NH3 -NO -Na2 -NaCl -O2 -OH -P2 -PH2 -PH3 +HCl 448.52 449.58 +HF 592.09 593.02 +HOCl 693.67 695.38 +Li2 101.24 101.24 +LiF 583.12 583.99 +LiH 242.27 242.27 +N2 951.59 955.82 +N2H4 1827.15 1832.69 +NH 346.38 347.02 +NH2 761.30 762.95 +NH3 1242.94 1245.99 +NO 636.75 639.28 +Na2 71.55 71.78 +NaCl 411.98 412.96 +O2 504.36 505.88 +OH 447.50 448.30 +P2 485.14 489.29 +PH2 644.21 645.47 +PH3 1010.33 1012.24 S2 SO SO2