loos/srDFT_G2
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beginning to update dat

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Emmanuel Giner 2019-03-25 21:26:39 +01:00
parent a75cffe764
commit dbaed7b7a6
1 changed files with 21 additions and 21 deletions
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42
Ref/data_HF_LDA_VTZ
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@ -22,28 +22,28 @@ H2O 973.05 974.94
H2O2 1124.05 1126.34 H2O2 1124.05 1126.34
H2S 766.92 768.72 H2S 766.92 768.72
H3COH 2141.49 2147.84 H3COH 2141.49 2147.84
H3CSH H3CSH 4016.15 4038.49
HCN HCN 1303.41 1310.97
HCO HCO
HCl HCl 448.52 449.58
HF HF 592.09 593.02
HOCl HOCl 693.67 695.38
Li2 Li2 101.24 101.24
LiF LiF 583.12 583.99
LiH LiH 242.27 242.27
N2 N2 951.59 955.82
N2H4 N2H4 1827.15 1832.69
NH NH 346.38 347.02
NH2 NH2 761.30 762.95
NH3 NH3 1242.94 1245.99
NO NO 636.75 639.28
Na2 Na2 71.55 71.78
NaCl NaCl 411.98 412.96
O2 O2 504.36 505.88
OH OH 447.50 448.30
P2 P2 485.14 489.29
PH2 PH2 644.21 645.47
PH3 PH3 1010.33 1012.24
S2 S2
SO SO
SO2 SO2