loos/srDFT_G2
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all Klopper references AE for G2

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This commit is contained in:
Emmanuel Giner 2019-03-25 21:31:41 +01:00
parent 0022e17f9d
commit 069dd6b554
1 changed files with 25 additions and 25 deletions
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Ref/data_HF_LDA_VTZ
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@ -17,14 +17,14 @@ Cl2 247.16 248.22
ClF 261.80 262.43
ClO 270.00 271.20
F2 162.15 162.31
H2CO
H2CO 1561.51 1567.43
H2O 973.05 974.94
H2O2 1124.05 1126.34
H2S 766.92 768.72
H3COH 2141.49 2147.84
H3CSH 4016.15 4038.49
HCN 1303.41 1310.97
HCO
HCO 1164.33 1169.59
HCl 448.52 449.58
HF 592.09 593.02
HOCl 693.67 695.38