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diff --git a/Data/data_C2/data_V5Z_pbe_ful b/Data/data_C2/data_V5Z_pbe_ful
new file mode 100644
index 0000000..7a7f572
--- /dev/null
+++ b/Data/data_C2/data_V5Z_pbe_ful
@@ -0,0 +1,5 @@
+0.000001 145.110727694
+0.0000001 144.932184644
+0.00000001 144.880410269
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diff --git a/Data/data_C2/data_V5Z_pbe_val b/Data/data_C2/data_V5Z_pbe_val
new file mode 100644
index 0000000..061a5d8
--- /dev/null
+++ b/Data/data_C2/data_V5Z_pbe_val
@@ -0,0 +1,5 @@
+0.000001 146.759663117
+0.0000001 146.575285608
+0.00000001 146.521848584
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diff --git a/Data/data_C2/data_VDZ_pbe_ful b/Data/data_C2/data_VDZ_pbe_ful
new file mode 100644
index 0000000..4011ee2
--- /dev/null
+++ b/Data/data_C2/data_VDZ_pbe_ful
@@ -0,0 +1,5 @@
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+0.00000001 142.659023496
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diff --git a/Data/data_C2/data_VDZ_pbe_val b/Data/data_C2/data_VDZ_pbe_val
new file mode 100644
index 0000000..53e38f5
--- /dev/null
+++ b/Data/data_C2/data_VDZ_pbe_val
@@ -0,0 +1,5 @@
+0.000001 145.721549939
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diff --git a/Data/data_C2/data_VQZ_pbe_ful b/Data/data_C2/data_VQZ_pbe_ful
new file mode 100644
index 0000000..892f1ee
--- /dev/null
+++ b/Data/data_C2/data_VQZ_pbe_ful
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_VQZ_pbe_val b/Data/data_C2/data_VQZ_pbe_val
new file mode 100644
index 0000000..cfff37f
--- /dev/null
+++ b/Data/data_C2/data_VQZ_pbe_val
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_VTZ_pbe_ful b/Data/data_C2/data_VTZ_pbe_ful
new file mode 100644
index 0000000..7252e51
--- /dev/null
+++ b/Data/data_C2/data_VTZ_pbe_ful
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_VTZ_pbe_val b/Data/data_C2/data_VTZ_pbe_val
new file mode 100644
index 0000000..1e10670
--- /dev/null
+++ b/Data/data_C2/data_VTZ_pbe_val
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_fci_V5Z b/Data/data_C2/data_fci_V5Z
new file mode 100644
index 0000000..904efe4
--- /dev/null
+++ b/Data/data_C2/data_fci_V5Z
@@ -0,0 +1 @@
+-37.78876692 -75.80761254
diff --git a/Data/data_C2/data_fci_VDZ b/Data/data_C2/data_fci_VDZ
new file mode 100644
index 0000000..57d401f
--- /dev/null
+++ b/Data/data_C2/data_fci_VDZ
@@ -0,0 +1 @@
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diff --git a/Data/data_C2/data_fci_VQZ b/Data/data_C2/data_fci_VQZ
new file mode 100644
index 0000000..dc0adf9
--- /dev/null
+++ b/Data/data_C2/data_fci_VQZ
@@ -0,0 +1 @@
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diff --git a/Data/data_C2/data_fci_VTZ b/Data/data_C2/data_fci_VTZ
new file mode 100644
index 0000000..bdaa535
--- /dev/null
+++ b/Data/data_C2/data_fci_VTZ
@@ -0,0 +1 @@
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diff --git a/Data/data_C2/data_ful_V5Z b/Data/data_C2/data_ful_V5Z
new file mode 100644
index 0000000..292307d
--- /dev/null
+++ b/Data/data_C2/data_ful_V5Z
@@ -0,0 +1,5 @@
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+0.00000001 -0.0235748660 -0.0479526128
+0.000000001 -0.0235735198 -0.0479255025
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diff --git a/Data/data_C2/data_ful_VDZ b/Data/data_C2/data_ful_VDZ
new file mode 100644
index 0000000..206a72e
--- /dev/null
+++ b/Data/data_C2/data_ful_VDZ
@@ -0,0 +1,5 @@
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+0.00000001 -0.0510744099 -0.1191807662
+0.000000001 -0.0510743880 -0.1191768667
+0.0000000001 -0.0510736546 -0.1191765211
diff --git a/Data/data_C2/data_ful_VQZ b/Data/data_C2/data_ful_VQZ
new file mode 100644
index 0000000..2baaa4a
--- /dev/null
+++ b/Data/data_C2/data_ful_VQZ
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_ful_VTZ b/Data/data_C2/data_ful_VTZ
new file mode 100644
index 0000000..6a8406c
--- /dev/null
+++ b/Data/data_C2/data_ful_VTZ
@@ -0,0 +1,5 @@
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+0.00000001 -0.0388219815 -0.0814824431
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diff --git a/Data/data_C2/data_val_V5Z b/Data/data_C2/data_val_V5Z
new file mode 100644
index 0000000..747498f
--- /dev/null
+++ b/Data/data_C2/data_val_V5Z
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_val_VDZ b/Data/data_C2/data_val_VDZ
new file mode 100644
index 0000000..d2321ae
--- /dev/null
+++ b/Data/data_C2/data_val_VDZ
@@ -0,0 +1,5 @@
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diff --git a/Data/data_C2/data_val_VQZ b/Data/data_C2/data_val_VQZ
new file mode 100644
index 0000000..726eccb
--- /dev/null
+++ b/Data/data_C2/data_val_VQZ
@@ -0,0 +1,5 @@
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+0.00000001 -0.0030015198 -0.0114683065
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diff --git a/Data/data_C2/data_val_VTZ b/Data/data_C2/data_val_VTZ
new file mode 100644
index 0000000..3937a9f
--- /dev/null
+++ b/Data/data_C2/data_val_VTZ
@@ -0,0 +1,5 @@
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+0.0000001 -0.0058103795 -0.0219553478
+0.00000001 -0.0058063000 -0.0218802540
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diff --git a/Data/data_C2/plot_V5Z.plt b/Data/data_C2/plot_V5Z.plt
new file mode 100644
index 0000000..b53086c
--- /dev/null
+++ b/Data/data_C2/plot_V5Z.plt
@@ -0,0 +1,10 @@
+   set log x
+   set format x "10^{%T}"
+   set xlabel "threshold CI"
+   set ylabel "D_e"
+   set key font "10,15"
+   set key center right
+   plot "data_V5Z_pbe_val" w lp title "V5Z PBE val"
+   set output "V5Z_pbe_val.eps"
+   set term eps
+   replot
diff --git a/Data/data_C2/plot_VDZ.plt b/Data/data_C2/plot_VDZ.plt
new file mode 100644
index 0000000..ad53953
--- /dev/null
+++ b/Data/data_C2/plot_VDZ.plt
@@ -0,0 +1,10 @@
+   set log x
+   set format x "10^{%T}"
+   set xlabel "threshold CI"
+   set ylabel "D_e"
+   set key font "10,15"
+   set key center right
+   plot "data_VDZ_pbe_val" w lp title "VDZ PBE val"
+   set output "VDZ_pbe_val.eps"
+   set term eps
+   replot
diff --git a/Data/data_C2/plot_VQZ.plt b/Data/data_C2/plot_VQZ.plt
new file mode 100644
index 0000000..0bc9e40
--- /dev/null
+++ b/Data/data_C2/plot_VQZ.plt
@@ -0,0 +1,10 @@
+   set log x
+   set format x "10^{%T}"
+   set xlabel "threshold CI"
+   set ylabel "D_e"
+   set key font "10,15"
+   set key center right
+   plot "data_VQZ_pbe_val" w lp title "VQZ PBE val"
+   set output "VQZ_pbe_val.eps"
+   set term eps
+   replot
diff --git a/Data/data_C2/plot_VTZ.plt b/Data/data_C2/plot_VTZ.plt
new file mode 100644
index 0000000..3c5d33b
--- /dev/null
+++ b/Data/data_C2/plot_VTZ.plt
@@ -0,0 +1,10 @@
+   set log x
+   set format x "10^{%T}"
+   set xlabel "threshold CI"
+   set ylabel "D_e"
+   set key font "10,15"
+   set key center right
+   plot "data_VTZ_pbe_val" w lp title "VTZ PBE val"
+   set output "VTZ_pbe_val.eps"
+   set term eps
+   replot
diff --git a/Data/data_last/G2_CIPSI_VDZ_PBE.dat b/Data/data_last/G2_CIPSI_VDZ_PBE.dat
new file mode 100644
index 0000000..ccd7a18
--- /dev/null
+++ b/Data/data_last/G2_CIPSI_VDZ_PBE.dat
@@ -0,0 +1,67 @@
+Be  -14.6525934869
+BeH  -15.2280885885
+C  -37.8115711393
+C2H2  -77.2453651101
+C2H4  -78.4964272714
+C2H6  -79.7303607719
+CH  -38.4391925064
+CH2_1A1  -39.0885688023
+CH2_3B1  -39.1039818471
+CH3  -39.7861220025
+CH3Cl  -499.889445366
+CH4  -40.4631845902
+CN  -92.6317159564
+CO  -113.215605602
+CO2  -188.414102463
+CS  -436.016730882
+Cl  -459.970019263
+Cl2  -920.015615574
+ClF  -559.688983676
+ClO  -535.045389793
+F  -99.6420744598
+F2  -199.334103074
+H  -0.4992784
+H2CO  -114.388691636
+H2O  -76.3483672952
+H2O2  -151.398132836
+H2S  -399.218235461
+H3COH  -115.597284513
+H3CSH  -438.481187642
+HCN  -93.336430558
+HCO  -113.738644586
+HCl  -460.632433214
+HF  -100.353131806
+HOCl  -535.70754441
+Li  -7.4644822742
+Li2  -14.9657649998
+LiF  -107.313192739
+LiH  -8.0500893996
+N  -54.5407047121
+N2  -109.435444385
+N2H4  -111.741694052
+NH  -55.1646850534
+NH2  -55.8154688926
+NH3  -56.4928570394
+NO  -129.77422506
+Na  -162.118111549
+Na2  -324.261835126
+NaCl  -622.235185226
+O  -74.9975227743
+O2  -150.178213573
+OH  -75.6576590563
+P  -341.107757102
+P2  -682.381844296
+PH2  -342.337356423
+PH3  -342.970940803
+S  -397.943062719
+S2  -796.030887759
+SO  -473.108433586
+SO2  -548.27283586
+Si  -289.216363721
+Si2  -578.539048878
+Si2H6  -582.242992751
+SiH2_1A1  -290.447730582
+SiH2_3B1  -290.415934707
+SiH3  -291.060735371
+SiH4  -291.709500264
+SiO  -364.488829039
diff --git a/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat b/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat
new file mode 100644
index 0000000..f8a30b0
--- /dev/null
+++ b/Data/data_last/G2_CIPSI_VDZ_PBE_valence.dat
@@ -0,0 +1,67 @@
+Be  -14.6525934869
+BeH  -15.2280885885
+C  -37.77495448
+C2H2  -77.1785106139
+C2H4  -78.4295813503
+C2H6  -79.6639266107
+CH  -38.4035847905
+CH2_1A1  -39.0536047507
+CH2_3B1  -39.0696932584
+CH3  -39.752591966
+CH3Cl  -499.544557501
+CH4  -40.4300412438
+CN  -92.5639577203
+CO  -113.148649079
+CO2  -188.316829534
+CS  -435.67768237
+Cl  -459.657812162
+Cl2  -919.391610861
+ClF  -559.346326618
+ClO  -534.700808839
+F  -99.6107251168
+F2  -199.271675379
+H  -0.4992784
+H2CO  -114.322939075
+H2O  -76.3163841497
+H2O2  -151.332936627
+H2S  -398.914753252
+H3COH  -115.532022506
+H3CSH  -438.144291377
+HCN  -93.2692424822
+HCO  -113.672663495
+HCl  -460.321084374
+HF  -100.323047256
+HOCl  -535.363216107
+Li  -7.4644822742
+Li2  -14.9657649998
+LiF  -107.283574476
+LiH  -8.0500893996
+N  -54.504189876
+N2  -109.367921659
+N2H4  -111.675255278
+NH  -55.1297878564
+NH2  -55.7816443145
+NH3  -56.4598848231
+NO  -129.708001844
+Na  -162.096718178
+Na2  -324.219009633
+NaCl  -621.902748771
+O  -74.9632601139
+O2  -150.113488777
+OH  -75.6246883299
+P  -340.810421791
+P2  -681.788588341
+PH2  -342.041309937
+PH3  -342.675433593
+S  -397.638128967
+S2  -795.422805549
+SO  -472.772602683
+SO2  -547.906305454
+Si  -288.926561047
+Si2  -577.960779475
+Si2H6  -581.667037902
+SiH2_1A1  -290.158660519
+SiH2_3B1  -290.126971128
+SiH3  -290.772284826
+SiH4  -291.42162663
+SiO  -364.16747282
diff --git a/Data/data_last/data.py b/Data/data_last/data.py
index 87d41ef..53da892 100755
--- a/Data/data_last/data.py
+++ b/Data/data_last/data.py
@@ -8,7 +8,7 @@ hf_lda = []
 val_lda = []
 
 
-filepath = 'G2_cc-pVTZ.dat'
+filepath = 'G2_cc-pVDZ.dat'
 
 with open(filepath, "r") as fp:
    cipsi = []
@@ -21,7 +21,7 @@ with open(filepath, "r") as fp:
 
 #print cipsi
 
-filepath = 'data_HF_PBE_VTZ'
+filepath = 'data_HF_PBE_VDZ'
 with open(filepath, "r") as fp2:
    for line in fp2:
      a=line.split()
@@ -29,14 +29,14 @@ with open(filepath, "r") as fp2:
      hf_lda.append(a[1])
      val_lda.append(a[2])
 
-file_PBE = open("G2_CIPSI_VTZ_PBE.dat","w+")
+file_PBE = open("G2_CIPSI_VDZ_PBE.dat","w+")
 count=0
 for e in ev:
   file_PBE.write(system[count] +'  '+str(float(e)+float(hf_lda[count]))+'\n')
   count += 1
 
 
-file_PBE_val = open("G2_CIPSI_VTZ_PBE_valence.dat","w+")
+file_PBE_val = open("G2_CIPSI_VDZ_PBE_valence.dat","w+")
 count=0
 for e in ev:
   if (count==1):
diff --git a/Manuscript/G2-srDFT.pdf b/Manuscript/G2-srDFT.pdf
index e3b3c5b..d36c52c 100644
Binary files a/Manuscript/G2-srDFT.pdf and b/Manuscript/G2-srDFT.pdf differ
diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex
index 711b7bd..30a0e2e 100644
--- a/Manuscript/G2-srDFT.tex
+++ b/Manuscript/G2-srDFT.tex
@@ -88,16 +88,16 @@
 \subsection{The case of C$_2$ and the comparison with the F$_{12}$ methods.}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \begin{table*}
-\caption{Dissociation energy ($D_e$) in kcal/mol of the C$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-FC}}$ (frozen core interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.}
+\caption{Dissociation energy ($D_e$) in kcal/mol of the C$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-val}}$ (valence only interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.}
 \begin{ruledtabular}
-\begin{tabular}{lccccc}
+\begin{tabular}{lccccccc}
 %\hline
-                & FCIQMC    & CIPSI             & FCIQMC+F$_{12}$     & CIPSI+LDA$_{\text{HF}}$  & CIPSI+LDA${_\text{HF-FC}}$    \\
-\hline                                                                                                 
-V2Z             & 130.0     &  132.0            & 142.3               &  141.9                   & 142.9                         \\
-V3Z             & 139.9     &  140.3            & 145.3               &  142.8                   & 145.5                         \\
-V4Z             &   -       &  143.6            & -                   &  145.8                   & 146.2                         \\
-V5Z             &   -       &  144.3            & -                   &  145.1                   & 146.1                         \\
+                & FCIQMC    & CIPSI             & FCIQMC+F$_{12}$     & CIPSI+LDA$_{\text{HF}}$  & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$  & CIPSI+PBE${_\text{HF-val}}$     \\
+\hline                                                                                                                                                          
+V2Z             & 130.0     &  132.0            & 142.3               &  141.9                   & 142.9                       &  142.7                   & 145.6                          \\
+V3Z             & 139.9     &  140.3            & 145.3               &  142.8                   & 145.5                       &  142.7                   & 146.7                          \\
+V4Z             &   -       &  143.6            & -                   &  145.8                   & 146.2                       &  145.3                   & 147.0                          \\
+V5Z             &   -       &  144.3            & -                   &  145.1                   & 146.1                       &  144.9                   & 146.5                          \\
 %\hline
  & \multicolumn{5}{c}{Estimated exact} \\
  & \multicolumn{5}{c}{ 146.9} \\