loos/srDFT_G2
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beginning to update dat

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This commit is contained in:
Emmanuel Giner 2019-03-25 21:29:18 +01:00
parent dbaed7b7a6
commit 0022e17f9d
1 changed files with 10 additions and 10 deletions
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Ref/data_HF_LDA_VTZ
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@ -44,13 +44,13 @@ OH 447.50 448.30
P2 485.14 489.29 P2 485.14 489.29
PH2 644.21 645.47 PH2 644.21 645.47
PH3 1010.33 1012.24 PH3 1010.33 1012.24
S2 S2 431.42 433.94
SO SO 526.33 528.72
SO2 SO2 1086.86 1091.61
Si2 Si2 431.42 433.94
Si2H6 Si2H6 2626.11 2631.54
SiH2_1A1 SiH2_1A1 642.99 643.11
SiH2_3B1 SiH2_3B1 557.56 555.72
SiH3 SiH3 954.30 953.44
SiH4 SiH4 1358.08 1357.91
SiO SiO 804.83 809.19