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
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