data GW20

Data/GW20.dat

@@ -0,0 +1,20 @@
+He	
+Ne      
+H2      
+Li2     
+LiH     
+FH      
+Ar      
+H2O     
+LiF     
+HCl     
+BeO     
+CO      
+N2      
+CH4     
+BH3     
+NH3     
+BF      
+BN      
+SH2     
+F2      

Data/GW20_CCSDT_def2TZVPP.dat

@@ -0,0 +1,20 @@
+He	24.51
+Ne      21.32
+H2      16.40
+Li2     5.27
+LiH     7.96
+FH      16.03
+Ar      15.54
+H2O     12.56
+LiF     11.32
+HCl     12.59
+BeO     9.94
+CO      14.21
+N2      15.57
+CH4     14.37
+BH3     13.28
+NH3     10.81
+BF      11.09
+BN      11.89
+SH2     10.31
+F2      15.71

Data/GW20_Exp.dat

@@ -0,0 +1,20 @@
+He	24.59
+Ne      21.56
+H2      15.43
+Li2     4.73
+LiH     7.90
+FH      16.12
+Ar      15.76
+H2O     12.62
+LiF     11.30
+HCl     12.79
+BeO     10.10
+CO      14.01
+N2      15.58
+CH4     13.60
+BH3     12.03
+NH3     10.82
+BF      11.00
+BN      11.50
+SH2     10.50
+F2      15.70

Data/GW20_G0W0HF_def2TZVPP.dat

@@ -0,0 +1,20 @@
+He 24.61
+Ne 21.35
+H2 16.48
+Li2 5.29
+LiH 8.15
+FH  16.17
+Ar 15.73
+H2O 12.82
+LiF 11.31
+HCl 12.77
+BeO 9.76
+CO  15.00
+N2 17.07
+CH4 14.74
+BH3 13.64
+NH3 11.14
+BF  11.26
+BN 11.69
+SH2 10.48
+F2  16.27

Data/GW20_G0W0PBE_def2QZVP.dat

@@ -0,0 +1,20 @@
+He	23.48
+Ne      20.38
+H2      15.81
+Li2     4.99
+LiH     6.55
+FH      15.30
+Ar      15.13
+H2O     11.97
+LiF     9.95
+HCl     12.25
+BeO     8.62
+CO      13.57
+N2      14.89
+CH4     13.93
+BH3     12.87
+NH3     10.31
+BF      10.56
+BN      11.01
+SH2     10.03
+F2      14.96

Data/GW20_G0W0PBE_def2SVP.dat

@@ -0,0 +1,20 @@
+He -1.079565648417098E-002 -1.230438097217932E-002
+Ne -1.904261611387019E-002 -2.662409158787040E-002
+H2 -6.241639283626028E-003 -6.133830515561927E-003
+Li2 -4.944463184187682E-003 -3.401667212691632E-003
+LiH -6.722935337458653E-003 -5.304949916410806E-003
+FH -1.749174145687061E-002 -2.352224625818387E-002
+Ar -1.637181145003139E-002 -1.905357357787568E-002
+H2O -1.537767151230101E-002 -1.930159712389474E-002
+LiF -1.671231410083432E-002 -2.215479557378665E-002
+HCl -1.481427240674995E-002 -1.606885878377816E-002
+BeO -1.447745846418076E-002 -1.750821346635836E-002
+CO -1.157650838127323E-002 -1.271867428084659E-002
+N2 -1.342632005927355E-002 -1.603313882546727E-002
+CH4 -9.192564537794309E-003 -9.816614750174452E-003
+BH3 -7.726577021734582E-003 -7.718851894829288E-003
+NH3 -1.273253600259429E-002 -1.448072067152499E-002
+BF -7.392411887483745E-003 -6.832815493165529E-003
+BN -1.163596428068937E-002 -1.292968220600206E-002
+SH2 -1.295854558934124E-002 -1.322101769877296E-002
+F2 -1.857883209535273E-002 -2.509408717933916E-002

Data/GW20_G0W0PBE_def2TZVPP.dat

@@ -0,0 +1,20 @@
+He	23.75
+Ne      20.42
+H2      15.81
+Li2     5.00
+LiH     6.48
+FH      15.22
+Ar      15.03
+H2O     11.87
+LiF     9.69
+HCl     12.13
+BeO     9.05
+CO      13.43
+N2      14.73
+CH4     13.84
+BH3     12.78
+NH3     10.22
+BF      10.39
+BN      10.99
+SH2     9.91
+F2      14.82

Data/GW20_srDFT_def2SVP.dat

@@ -1,20 +0,0 @@
-He -1.083229757587175E-002 -1.235680791461561E-002
-Ne -1.902674073646834E-002 -2.659836043200363E-002
-H2 -6.269790287648761E-003 -6.168653321254036E-003
-Li2 -4.785232065383179E-003 -3.214669752185339E-003
-LiH -7.009607538498435E-003 -5.492134064088596E-003
-FH -1.750294568249320E-002 -2.350014132297493E-002
-Ar -1.634391625688584E-002 -1.896321508050156E-002
-H2O -1.541102085526358E-002 -1.928146566216735E-002
-LiF -1.720697452768278E-002 -2.274804606148213E-002
-HCl -1.485423437164095E-002 -1.607503593473423E-002
-BeO -1.467435359624419E-002 -1.762189928563819E-002
-CO -1.143693668644844E-002 -1.249779464996761E-002
-N2 -1.303527884507372E-002 -1.529101445903873E-002
-CH4 -9.206474008791649E-003 -9.827882389914716E-003
-BH3 -7.730399174461120E-003 -7.739295576861197E-003
-NH3 -1.277481972260225E-002 -1.449251490873414E-002
-BF -7.173173528646356E-003 -6.490578001225448E-003
-BN -1.149972139957730E-002 -1.260248574622631E-002
-SH2 -1.301772685854210E-002 -1.325904434364928E-002
-F2 -1.854320558161340E-002 -2.497523726615144E-002