loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

beginning to update dat

Browse Source
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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

20
Ref/data_HF_LDA_VTZ
View File

@ -44,13 +44,13 @@ OH 447.50 448.30
P2 485.14 489.29
PH2 644.21 645.47
PH3 1010.33 1012.24
S2
SO
SO2
Si2
Si2H6
SiH2_1A1
SiH2_3B1
SiH3
SiH4
SiO
S2 431.42 433.94
SO 526.33 528.72
SO2 1086.86 1091.61
Si2 431.42 433.94
Si2H6 2626.11 2631.54
SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72
SiH3 954.30 953.44
SiH4 1358.08 1357.91
SiO 804.83 809.19