diff --git a/Big_data/Small_core/produce_data_DFT.py b/Big_data/Small_core/produce_data_DFT.py
new file mode 100755
index 0000000..b1229b3
--- /dev/null
+++ b/Big_data/Small_core/produce_data_DFT.py
@@ -0,0 +1,49 @@
+#!/usr/bin/env python2
+
+import sys
+
+basis = sys.argv[1]
+
+filecc = "data_CC_"+basis+"_g09"
+fileLDA = "data_LDA_"+basis
+filePBE = "data_PBE_"+basis
+
+cc = []
+LDA_ful = []
+LDA_val = []
+PBE_ful = []
+PBE_val = []
+system = []
+
+with open(filecc, "r") as fp:
+   for line in fp:
+     a=line.split()
+     system.append(a[0])
+     b = a[1].replace("D","E")
+     cc.append(float(b))
+
+with open(fileLDA, "r") as fp:
+   for line in fp:
+     a=line.split()
+     LDA_ful.append(float(a[1]))
+     LDA_val.append(float(a[2]))
+
+with open(filePBE, "r") as fp:
+   for line in fp:
+     a=line.split()
+     PBE_ful.append(float(a[1]))
+     PBE_val.append(float(a[2]))
+
+file_output_cc      = open("data_CC_"+basis,"w+")
+file_output_LDA_ful = open("data_CC+LDA_ful_"+basis,"w+")
+file_output_LDA_val = open("data_CC+LDA_val_"+basis,"w+")
+file_output_PBE_ful = open("data_CC+PBE_ful_"+basis,"w+")
+file_output_PBE_val = open("data_CC+PBE_val_"+basis,"w+")
+icount = 0
+for e in cc:
+ file_output_cc.write(system[icount]+'  '+str(e) +'\n')
+ file_output_LDA_ful.write(system[icount]+'  '+str(e + LDA_ful[icount]) +'\n')
+ file_output_LDA_val.write(system[icount]+'  '+str(e + LDA_val[icount]) +'\n')
+ file_output_PBE_ful.write(system[icount]+'  '+str(e + PBE_ful[icount]) +'\n')
+ file_output_PBE_val.write(system[icount]+'  '+str(e + PBE_val[icount]) +'\n')
+ icount += 1
diff --git a/Big_data/Small_core/vdz/data_CC+LDA_ful_vdz b/Big_data/Small_core/vdz/data_CC+LDA_ful_vdz
new file mode 100644
index 0000000..4d6400c
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC+LDA_ful_vdz
@@ -0,0 +1,68 @@
+Be  -14.6585367019
+BeH  -15.2341631887
+C  -37.8211849598
+C2H2  -77.2581698358
+C2H4  -78.5111367958
+C2H6  -79.7472426292
+CH  -38.4484440051
+CH2_1A1  -39.0976100576
+CH2_3B1  -39.1131168736
+CH3  -39.7955460097
+CH3Cl  -499.856546292
+CH4  -40.4729339549
+CN  -92.6420235436
+CO  -113.223677462
+CO2  -188.421149243
+CS  -435.987262217
+Cl  -459.929075624
+Cl2  -919.931373159
+ClF  -559.645313655
+ClO  -535.00619085
+F  -99.6418811137
+F2  -199.330038626
+H  -0.49927840342
+H2CO  -114.397647946
+H2O  -76.3516144356
+H2O2  -151.404552491
+H2S  -399.185951276
+H3COH  -115.60907588
+H3CSH  -438.455768152
+HCN  -93.3469170227
+HCO  -113.749080438
+HCl  -460.591276889
+HF  -100.351580161
+HOCl  -535.668098279
+Li  -7.4690972535
+Li2  -14.9761774069
+LiF  -107.317896109
+LiH  -8.0566869146
+Mg  -199.897883157
+N  -54.5501211417
+N2  -109.443220622
+N2H4  -111.758051376
+NH  -55.173079881
+NH2  -55.8230688555
+NH3  -56.5000381013
+NO  -129.7800244
+Na  -162.101631346
+Na2  -324.22916976
+NaCl  -622.178075245
+O  -75.0029322186
+O2  -150.181475044
+OH  -75.6617902456
+P  -341.078973312
+P2  -682.320507307
+PH2  -342.309669045
+PH3  -342.943876575
+S  -397.909076387
+S2  -795.958629418
+SO  -473.075016278
+SO2  -548.236408512
+Si  -289.191690165
+Si2  -578.489240447
+Si2H6  -582.197488102
+SiH2_1A1  -290.420613984
+SiH2_3B1  -290.388421133
+SiH3  -291.038126864
+SiH4  -291.687936253
+SiO  -364.466472522
diff --git a/Big_data/Small_core/vdz/data_CC+LDA_val_vdz b/Big_data/Small_core/vdz/data_CC+LDA_val_vdz
new file mode 100644
index 0000000..601c2bd
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC+LDA_val_vdz
@@ -0,0 +1,68 @@
+Be  -14.6585367019
+BeH  -15.2341631887
+C  -37.7799460997
+C2H2  -77.1785550799
+C2H4  -78.4316810646
+C2H6  -79.6681952545
+CH  -38.4080129729
+CH2_1A1  -39.0576845121
+CH2_3B1  -39.0729108048
+CH3  -39.7558591013
+CH3Cl  -499.550446112
+CH4  -40.4335852239
+CN  -92.560756276
+CO  -113.141862569
+CO2  -188.298660364
+CS  -435.6835691
+Cl  -459.661869672
+Cl2  -919.397722524
+ClF  -559.336866157
+ClO  -534.697773347
+F  -99.5998611677
+F2  -199.246377623
+H  -0.49927840342
+H2CO  -114.316603431
+H2O  -76.3102485592
+H2O2  -151.321635677
+H2S  -398.923521655
+H3COH  -115.528289028
+H3CSH  -438.153580163
+HCN  -93.2661588992
+HCO  -113.66762539
+HCl  -460.324974709
+HF  -100.309792543
+HOCl  -535.360042947
+Li  -7.4690972535
+Li2  -14.9761774069
+LiF  -107.276194805
+LiH  -8.0566869146
+Mg  -199.856082685
+N  -54.5078444596
+N2  -109.361217497
+N2H4  -111.67676909
+NH  -55.131600082
+NH2  -55.7821887495
+NH3  -56.4595349876
+NO  -129.6974238
+Na  -162.059382352
+Na2  -324.144663085
+NaCl  -621.869389023
+O  -74.9606910008
+O2  -150.098139567
+OH  -75.6201249915
+P  -340.817463985
+P2  -681.800225026
+PH2  -342.050132067
+PH3  -342.685212208
+S  -397.64474826
+S2  -795.431444492
+SO  -472.770285528
+SO2  -547.892163472
+Si  -288.93336639
+Si2  -577.974114516
+Si2H6  -581.686086441
+SiH2_1A1  -290.165032205
+SiH2_3B1  -290.132719441
+SiH3  -290.781821079
+SiH4  -291.432394629
+SiO  -364.167752667
diff --git a/Big_data/Small_core/vdz/data_CC+PBE_ful_vdz b/Big_data/Small_core/vdz/data_CC+PBE_ful_vdz
new file mode 100644
index 0000000..72bb69b
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC+PBE_ful_vdz
@@ -0,0 +1,68 @@
+Be  -14.6547566354
+BeH  -15.2300587419
+C  -37.8170739381
+C2H2  -77.2582489361
+C2H4  -78.5107080767
+C2H6  -79.7462375548
+CH  -38.4459248392
+CH2_1A1  -39.0962303183
+CH2_3B1  -39.110569227
+CH3  -39.7941840699
+CH3Cl  -499.921290905
+CH4  -40.4722310645
+CN  -92.6441143378
+CO  -113.230863367
+CO2  -188.437038443
+CS  -436.045361832
+Cl  -459.992456388
+Cl2  -920.061662122
+ClF  -559.722432012
+ClO  -535.077050521
+F  -99.6516388803
+F2  -199.353177494
+H  -0.49927840342
+H2CO  -114.404916307
+H2O  -76.3584708572
+H2O2  -151.417913223
+H2S  -399.243521978
+H3COH  -115.615880083
+H3CSH  -438.513289059
+HCN  -93.3503745793
+HCO  -113.755635011
+HCl  -460.656071482
+HF  -100.36371737
+HOCl  -535.740006104
+Li  -7.4657074109
+Li2  -14.9687869694
+LiF  -107.325183863
+LiH  -8.0521009602
+Mg  -199.934321462
+N  -54.546785273
+N2  -109.450301835
+N2H4  -111.7636117
+NH  -55.1723142021
+NH2  -55.8242617154
+NH3  -56.5026027685
+NO  -129.789216183
+Na  -162.132745985
+Na2  -324.29111598
+NaCl  -622.272736804
+O  -75.0054878231
+O2  -150.192730769
+OH  -75.6667848148
+P  -341.128118524
+P2  -682.424997725
+PH2  -342.360261951
+PH3  -342.995009872
+S  -397.964462663
+S2  -796.073839775
+SO  -473.138799708
+SO2  -548.310897655
+Si  -289.236508062
+Si2  -578.58123339
+Si2H6  -582.289163609
+SiH2_1A1  -290.466416218
+SiH2_3B1  -290.433963242
+SiH3  -291.083280709
+SiH4  -291.733271519
+SiO  -364.519752367
diff --git a/Big_data/Small_core/vdz/data_CC+PBE_val_vdz b/Big_data/Small_core/vdz/data_CC+PBE_val_vdz
new file mode 100644
index 0000000..04b487f
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC+PBE_val_vdz
@@ -0,0 +1,68 @@
+Be  -14.6547566354
+BeH  -15.2300587419
+C  -37.7769856876
+C2H2  -77.1804343242
+C2H4  -78.433121446
+C2H6  -79.6689947351
+CH  -38.4066115013
+CH2_1A1  -39.0573509975
+CH2_3B1  -39.0712701227
+CH3  -39.7553991269
+CH3Cl  -499.550690059
+CH4  -40.4337214769
+CN  -92.564387757
+CO  -113.150214198
+CO2  -188.315562936
+CS  -435.682809149
+Cl  -459.659943349
+Cl2  -919.397194851
+ClF  -559.348742255
+ClO  -534.703187344
+F  -99.6096596349
+F2  -199.269685243
+H  -0.49927840342
+H2CO  -114.324866204
+H2O  -76.3172348737
+H2O2  -151.33523087
+H2S  -398.921042282
+H3COH  -115.536151905
+H3CSH  -438.152055113
+HCN  -93.2708378278
+HCO  -113.675317145
+HCl  -460.324278924
+HF  -100.322204219
+HOCl  -535.366645568
+Li  -7.4657074109
+Li2  -14.9687869694
+LiF  -107.283820433
+LiH  -8.0521009602
+Mg  -199.905632425
+N  -54.504132476
+N2  -109.369066593
+N2H4  -111.683179286
+NH  -55.1309285421
+NH2  -55.783673742
+NH3  -56.4624380292
+NO  -129.707147671
+Na  -162.103959558
+Na2  -324.233410056
+NaCl  -621.91219491
+O  -74.9628973433
+O2  -150.109591855
+OH  -75.625113448
+P  -340.812674149
+P2  -681.796195533
+PH2  -342.04633609
+PH3  -342.681708166
+S  -397.640515222
+S2  -795.427282604
+SO  -472.774401395
+SO2  -547.906800012
+Si  -288.929922073
+Si2  -577.969084699
+Si2H6  -581.679448471
+SiH2_1A1  -290.161815661
+SiH2_3B1  -290.129320513
+SiH3  -290.778033974
+SiH4  -291.428507048
+SiO  -364.172229488
diff --git a/Big_data/Small_core/vdz/data_CC_vdz b/Big_data/Small_core/vdz/data_CC_vdz
new file mode 100644
index 0000000..9178534
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC_vdz
@@ -0,0 +1,68 @@
+Be  -14.617407091
+BeH  -15.189023417
+C  -37.761544865
+C2H2  -77.113273948
+C2H4  -78.359380237
+C2H6  -79.587822404
+CH  -38.381408096
+CH2_1A1  -39.024241464
+CH2_3B1  -39.043435391
+CH3  -39.718327584
+CH3Cl  -499.44799043
+CH4  -40.390005577
+CN  -92.494026424
+CO  -113.05825014
+CO2  -188.15391479
+CS  -435.61242502
+Cl  -459.60393548
+Cl2  -919.27447645
+ClF  -559.20124066
+ClO  -534.58133325
+F  -99.529318723
+F2  -199.09979892
+H  -0.49927840342
+H2CO  -114.22281266
+H2O  -76.243286487
+H2O2  -151.19763241
+H2S  -398.87177732
+H3COH  -115.42509734
+H3CSH  -438.06400707
+HCN  -93.192342839
+HCO  -113.57990137
+HCl  -460.26022714
+HF  -100.23009882
+HOCl  -535.23635025
+Li  -7.4326375328
+Li2  -14.901426259
+LiF  -107.15720651
+LiH  -8.0147734794
+Mg  -199.64469782
+N  -54.479943912
+N2  -109.27927631
+N2H4  -111.57502844
+NH  -55.093207953
+NH2  -55.734925923
+NH3  -56.404875439
+NO  -129.60178664
+Na  -161.85421262
+Na2  -323.7333739
+NaCl  -621.59508922
+O  -74.911545036
+O2  -149.9890392
+OH  -75.561179481
+P  -340.79689897
+P2  -681.73663802
+PH2  -342.01531772
+PH3  -342.64502313
+S  -397.60600156
+S2  -795.34268648
+SO  -472.67053718
+SO2  -547.72771997
+Si  -288.92017927
+Si2  -577.93847477
+Si2H6  -581.62508454
+SiH2_1A1  -290.14353545
+SiH2_3B1  -290.11369338
+SiH3  -290.75475036
+SiH4  -291.39979115
+SiO  -364.0885635
diff --git a/Big_data/Small_core/vdz/data_CC_vdz_g09 b/Big_data/Small_core/vdz/data_CC_vdz_g09
new file mode 100644
index 0000000..47a132d
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_CC_vdz_g09
@@ -0,0 +1,68 @@
+Be -0.14617407091D+02
+BeH -0.15189023417D+02
+C -0.37761544865D+02
+C2H2 -0.77113273948D+02
+C2H4 -0.78359380237D+02
+C2H6 -0.79587822404D+02
+CH -0.38381408096D+02
+CH2_1A1 -0.39024241464D+02
+CH2_3B1 -0.39043435391D+02
+CH3 -0.39718327584D+02
+CH3Cl -0.49944799043D+03
+CH4 -0.40390005577D+02
+CN -0.92494026424D+02
+CO -0.11305825014D+03
+CO2 -0.18815391479D+03
+CS -0.43561242502D+03
+Cl -0.45960393548D+03
+Cl2 -0.91927447645D+03
+ClF -0.55920124066D+03
+ClO -0.53458133325D+03
+F -0.99529318723D+02
+F2 -0.19909979892D+03
+H -0.499278403420
+H2CO -0.11422281266D+03
+H2O -0.76243286487D+02
+H2O2 -0.15119763241D+03
+H2S -0.39887177732D+03
+H3COH -0.11542509734D+03
+H3CSH -0.43806400707D+03
+HCN -0.93192342839D+02
+HCO -0.11357990137D+03
+HCl -0.46026022714D+03
+HF -0.10023009882D+03
+HOCl -0.53523635025D+03
+Li -0.74326375328D+01
+Li2 -0.14901426259D+02
+LiF -0.10715720651D+03
+LiH -0.80147734794D+01
+Mg -0.19964469782D+03
+N -0.54479943912D+02
+N2 -0.10927927631D+03
+N2H4 -0.11157502844D+03
+NH -0.55093207953D+02
+NH2 -0.55734925923D+02
+NH3 -0.56404875439D+02
+NO -0.12960178664D+03
+Na -0.16185421262D+03
+Na2 -0.32373337390D+03
+NaCl -0.62159508922D+03
+O -0.74911545036D+02
+O2 -0.14998903920D+03
+OH -0.75561179481D+02
+P -0.34079689897D+03
+P2 -0.68173663802D+03
+PH2 -0.34201531772D+03
+PH3 -0.34264502313D+03
+S -0.39760600156D+03
+S2 -0.79534268648D+03
+SO -0.47267053718D+03
+SO2 -0.54772771997D+03
+Si -0.28892017927D+03
+Si2 -0.57793847477D+03
+Si2H6 -0.58162508454D+03
+SiH2_1A1 -0.29014353545D+03
+SiH2_3B1 -0.29011369338D+03
+SiH3 -0.29075475036D+03
+SiH4 -0.29139979115D+03
+SiO -0.36408856350D+03
diff --git a/Big_data/Small_core/vdz/data_HF_vdz b/Big_data/Small_core/vdz/data_HF_vdz
new file mode 100644
index 0000000..f34eaf4
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_HF_vdz
@@ -0,0 +1,68 @@
+Be -14.57233763095975
+BeH -15.14944105168636
+C -37.68241788147697
+C2H2 -76.82592334985850
+C2H4 -78.04007549141934
+C2H6 -79.23490630991868
+CH -38.26868990365019
+CH2_1A1 -38.88078815371200
+CH2_3B1 -38.92143147431442
+CH3 -39.55963426168379
+CH3Cl -499.1177963325864
+CH4 -40.19870886803566
+CN -92.19643276876862
+CO -112.7490226770811
+CO2 -187.6505541073124
+CS -435.3295163334384
+Cl -459.4671805871486
+Cl2 -918.9609463729460
+ClF -558.8441089581622
+ClO -534.2511260050380
+F -99.37186194017748
+F2 -198.6875949837574
+H -0.4992784034195832
+H2CO -113.8764549841933
+H2O -76.02652628003464
+H2O2 -150.7842105444468
+H2S -398.6945595492011
+H3COH -115.0491170646377
+H3CSH -437.7255345912816
+HCN -92.88339434576352
+HCO -113.2535258863265
+HCl -460.0894235831447
+HF -100.0193125151421
+HOCl -534.8727072271466
+Li -7.432419879674312
+Li2 -14.86982098302954
+LiF -106.9451229522251
+LiH -7.983683496756070
+Mg -199.6082970287379
+N -54.38841423703824
+N2 -108.9539745907070
+N2H4 -111.1860522419988
+NH -54.95942922664231
+NH2 -55.56260364644868
+NH3 -56.19550776567755
+NO -129.2535768586835
+Na -161.8530266435598
+Na2 -323.7040563975581
+NaCl -621.4336177391896
+O -74.78751307466443
+O2 -149.6082988699372
+OH -75.38981150133118
+P -340.7090141166056
+P2 -681.4656970633152
+PH2 -341.8674853239523
+PH3 -342.4703440857542
+S -397.4928397494306
+S2 -795.0493355261214
+SO -472.3325188309178
+SO2 -547.1786171115622
+Si -288.8464369232282
+Si2 -577.7563198549419
+Si2H6 -581.3390743613608
+SiH2_1A1 -290.0186293380384
+SiH2_3B1 -290.0098623342276
+SiH3 -290.6236219752521
+SiH4 -291.2428881740005
+SiO -363.7898701633387
diff --git a/Big_data/Small_core/vdz/data_HF_vdz_g09 b/Big_data/Small_core/vdz/data_HF_vdz_g09
new file mode 100644
index 0000000..e3dae97
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_HF_vdz_g09
@@ -0,0 +1,68 @@
+Be -14.5723376310
+BeH -15.1494410529
+C -37.6824178815
+C2H2 -76.8259233629
+C2H4 -78.0400754939
+C2H6 -79.2349063082
+CH -38.2686899031
+CH2_1A1 -38.8807881466
+CH2_3B1 -38.9214314737
+CH3 -39.5596342594
+CH3Cl -499.117796154
+CH4 -40.1987088666
+CN -92.1964327314
+CO -112.749022634
+CO2 -187.650554012
+CS -435.329516174
+Cl -459.467180438
+Cl2 -918.960946061
+ClF -558.844108818
+ClO -534.251125842
+F -99.3718619401
+F2 -198.687594974
+H -0.499278403420
+H2CO -113.876455008
+H2O -76.0265262687
+H2O2 -150.784210559
+H2S -398.694559396
+H3COH -115.049117052
+H3CSH -437.725534429
+HCN -92.8833943535
+HCO -113.253525917
+HCl -460.089423421
+HF -100.019312518
+HOCl -534.872707056
+Li -7.43241987968
+Li2 -14.8698209829
+LiF -106.945122949
+LiH -7.98368349655
+Mg -199.608296959
+N -54.3884142370
+N2 -108.953974619
+N2H4 -111.186052245
+NH -54.9594292312
+NH2 -55.5626036604
+NH3 -56.1955077685
+NO -129.253576814
+Na -161.853026642
+Na2 -323.704056379
+NaCl -621.433617551
+O -74.7875130746
+O2 -149.608298930
+OH -75.3898114897
+P -340.709013984
+P2 -681.465696773
+PH2 -341.867485182
+PH3 -342.470343938
+S -397.492839610
+S2 -795.049335221
+SO -472.332518694
+SO2 -547.178616963
+Si -288.846436796
+Si2 -577.756319584
+Si2H6 -581.339074077
+SiH2_1A1 -290.018350426
+SiH2_3B1 -290.009753270
+SiH3 -290.623621842
+SiH4 -291.242888037
+SiO -363.789870034
diff --git a/Big_data/Small_core/vdz/data_LDA_vdz b/Big_data/Small_core/vdz/data_LDA_vdz
new file mode 100644
index 0000000..c3e0cea
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_LDA_vdz
@@ -0,0 +1,68 @@
+Be -0.0411296109 -0.0411296109
+BeH -0.0451397717 -0.0451397717
+C -0.0596400948 -0.0184012347
+C2H2 -0.1448958878 -0.0652811319
+C2H4 -0.1517565588 -0.0723008276
+C2H6 -0.1594202252 -0.0803728505
+CH -0.0670359091 -0.0266048769
+CH2_1A1 -0.0733685936 -0.0334430481
+CH2_3B1 -0.0696814826 -0.0294754138
+CH3 -0.0772184257 -0.0375315173
+CH3Cl -0.4085558624 -0.1024556819
+CH4 -0.0829283779 -0.0435796469
+CN -0.1479971196 -0.0667298520
+CO -0.1654273215 -0.0836124285
+CO2 -0.2672344533 -0.1447455736
+CS -0.3748371970 -0.0711440795
+Cl -0.3251401441 -0.0579341920
+Cl2 -0.6568967089 -0.1232460738
+ClF -0.4440729953 -0.1356254968
+ClO -0.4248576002 -0.1164400971
+F -0.1125623907 -0.0705424447
+F2 -0.2302397062 -0.1465787028
+H -0.0000000000 -0.0000000000
+H2CO -0.1748352859 -0.0937907711
+H2O -0.1083279486 -0.0669620722
+H2O2 -0.2069200812 -0.1240032674
+H2S -0.3141739560 -0.0517443352
+H3COH -0.1839785398 -0.1031916885
+H3CSH -0.3917610816 -0.0895730926
+HCN -0.1545741837 -0.0738160602
+HCO -0.1691790677 -0.0877240197
+HCl -0.3310497494 -0.0647475685
+HF -0.1214813406 -0.0796937228
+HOCl -0.4317480291 -0.1236926972
+Li -0.0364597207 -0.0364597207
+Li2 -0.0747511479 -0.0747511479
+LiF -0.1606895994 -0.1189882948
+LiH -0.0419134352 -0.0419134352
+Mg -0.2531853369 -0.2113848654
+N -0.0701772297 -0.0279005476
+N2 -0.1639443118 -0.0819411870
+N2H4 -0.1830229364 -0.1017406503
+NH -0.0798719280 -0.0383921290
+NH2 -0.0881429325 -0.0472628265
+NH3 -0.0951626623 -0.0546595486
+NO -0.1782377596 -0.0956371596
+Na -0.2474187261 -0.2051697323
+Na2 -0.4957958603 -0.4112891849
+NaCl -0.5829860248 -0.2742998032
+O -0.0913871826 -0.0491459648
+O2 -0.1924358435 -0.1091003668
+OH -0.1006107646 -0.0589455105
+P -0.2820743418 -0.0205650148
+P2 -0.5838692875 -0.0635870062
+PH2 -0.2943513251 -0.0348143475
+PH3 -0.2988534453 -0.0401890780
+S -0.3030748271 -0.0387466998
+S2 -0.6159429379 -0.0887580120
+SO -0.4044790978 -0.0997483477
+SO2 -0.5086885425 -0.1644435016
+Si -0.2715108952 -0.0131871202
+Si2 -0.5507656768 -0.0356397461
+Si2H6 -0.5724035623 -0.0610019011
+SiH2_1A1 -0.2770785343 -0.0214967547
+SiH2_3B1 -0.2747277534 -0.0190260608
+SiH3 -0.2833765038 -0.0270707189
+SiH4 -0.2881451031 -0.0326034795
+SiO -0.3779090216 -0.0791891674
diff --git a/Big_data/Small_core/vdz/data_PBE_vdz b/Big_data/Small_core/vdz/data_PBE_vdz
new file mode 100644
index 0000000..4dddd36
--- /dev/null
+++ b/Big_data/Small_core/vdz/data_PBE_vdz
@@ -0,0 +1,68 @@
+Be -0.0373495444 -0.0373495444
+BeH -0.0410353249 -0.0410353249
+C -0.0555290731 -0.0154408226
+C2H2 -0.1449749881 -0.0671603762
+C2H4 -0.1513278397 -0.0737412090
+C2H6 -0.1584151508 -0.0811723311
+CH -0.0645167432 -0.0252034053
+CH2_1A1 -0.0719888543 -0.0331095335
+CH2_3B1 -0.0671338360 -0.0278347317
+CH3 -0.0758564859 -0.0370715429
+CH3Cl -0.4733004748 -0.1026996287
+CH4 -0.0822254875 -0.0437158999
+CN -0.1500879138 -0.0703613330
+CO -0.1726132269 -0.0919640581
+CO2 -0.2831236534 -0.1616481462
+CS -0.4329368116 -0.0703841291
+Cl -0.3885209083 -0.0560078694
+Cl2 -0.7871856722 -0.1227184008
+ClF -0.5211913520 -0.1475015946
+ClO -0.4957172706 -0.1218540945
+F -0.1223201573 -0.0803409119
+F2 -0.2533785738 -0.1698863231
+H 0.0000000000 0.0000000000
+H2CO -0.1821036470 -0.1020535445
+H2O -0.1151843702 -0.0739483867
+H2O2 -0.2202808130 -0.1375984600
+H2S -0.3717446584 -0.0492649617
+H3COH -0.1907827429 -0.1110545651
+H3CSH -0.4492819889 -0.0880480425
+HCN -0.1580317403 -0.0784949888
+HCO -0.1757336411 -0.0954157746
+HCl -0.3958443424 -0.0640517843
+HF -0.1336185503 -0.0921053995
+HOCl -0.5036558536 -0.1302953182
+Li -0.0330698781 -0.0330698781
+Li2 -0.0673607104 -0.0673607104
+LiF -0.1679773531 -0.1266139230
+LiH -0.0373274808 -0.0373274808
+Mg -0.2896236416 -0.2609346054
+N -0.0668413610 -0.0241885640
+N2 -0.1710255251 -0.0897902826
+N2H4 -0.1885832595 -0.1081508455
+NH -0.0791062491 -0.0377205891
+NH2 -0.0893357924 -0.0487478190
+NH3 -0.0977273295 -0.0575625902
+NO -0.1874295428 -0.1053610308
+Na -0.2785333650 -0.2497469380
+Na2 -0.5577420799 -0.5000361560
+NaCl -0.6776475844 -0.3171056901
+O -0.0939427871 -0.0513523073
+O2 -0.2036915694 -0.1205526547
+OH -0.1056053338 -0.0639339670
+P -0.3312195545 -0.0157751787
+P2 -0.6883597046 -0.0595575128
+PH2 -0.3449442313 -0.0310183698
+PH3 -0.3499867422 -0.0366850358
+S -0.3584611026 -0.0345136617
+S2 -0.7311532954 -0.0845961237
+SO -0.4682625281 -0.1038642151
+SO2 -0.5831776854 -0.1790800416
+Si -0.3163287916 -0.0097428029
+Si2 -0.6427586203 -0.0306099293
+Si2H6 -0.6640790687 -0.0543639312
+SiH2_1A1 -0.3228807680 -0.0182802113
+SiH2_3B1 -0.3202698623 -0.0156271327
+SiH3 -0.3285303494 -0.0232836139
+SiH4 -0.3334803690 -0.0287158979
+SiO -0.4311888674 -0.0836659882
diff --git a/Big_data/Small_core/vdz/produce_data_DFT.py b/Big_data/Small_core/vdz/produce_data_DFT.py
new file mode 100755
index 0000000..b1229b3
--- /dev/null
+++ b/Big_data/Small_core/vdz/produce_data_DFT.py
@@ -0,0 +1,49 @@
+#!/usr/bin/env python2
+
+import sys
+
+basis = sys.argv[1]
+
+filecc = "data_CC_"+basis+"_g09"
+fileLDA = "data_LDA_"+basis
+filePBE = "data_PBE_"+basis
+
+cc = []
+LDA_ful = []
+LDA_val = []
+PBE_ful = []
+PBE_val = []
+system = []
+
+with open(filecc, "r") as fp:
+   for line in fp:
+     a=line.split()
+     system.append(a[0])
+     b = a[1].replace("D","E")
+     cc.append(float(b))
+
+with open(fileLDA, "r") as fp:
+   for line in fp:
+     a=line.split()
+     LDA_ful.append(float(a[1]))
+     LDA_val.append(float(a[2]))
+
+with open(filePBE, "r") as fp:
+   for line in fp:
+     a=line.split()
+     PBE_ful.append(float(a[1]))
+     PBE_val.append(float(a[2]))
+
+file_output_cc      = open("data_CC_"+basis,"w+")
+file_output_LDA_ful = open("data_CC+LDA_ful_"+basis,"w+")
+file_output_LDA_val = open("data_CC+LDA_val_"+basis,"w+")
+file_output_PBE_ful = open("data_CC+PBE_ful_"+basis,"w+")
+file_output_PBE_val = open("data_CC+PBE_val_"+basis,"w+")
+icount = 0
+for e in cc:
+ file_output_cc.write(system[icount]+'  '+str(e) +'\n')
+ file_output_LDA_ful.write(system[icount]+'  '+str(e + LDA_ful[icount]) +'\n')
+ file_output_LDA_val.write(system[icount]+'  '+str(e + LDA_val[icount]) +'\n')
+ file_output_PBE_ful.write(system[icount]+'  '+str(e + PBE_ful[icount]) +'\n')
+ file_output_PBE_val.write(system[icount]+'  '+str(e + PBE_val[icount]) +'\n')
+ icount += 1
diff --git a/Big_data/Small_core/vtz/data_CC+LDA_ful_vtz b/Big_data/Small_core/vtz/data_CC+LDA_ful_vtz
new file mode 100644
index 0000000..2ce0961
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC+LDA_ful_vtz
@@ -0,0 +1,68 @@
+Be  -14.6565890978
+BeH  -15.2362237609
+C  -37.8296233581
+C2H2  -77.3028946181
+C2H4  -78.5566487937
+C2H6  -79.7955180805
+CH  -38.462916112
+CH2_1A1  -39.117229349
+CH2_3B1  -39.1326592636
+CH3  -39.8197381036
+CH3Cl  -499.93143199
+CH4  -40.4997535496
+CN  -92.6835549754
+CO  -113.281652588
+CO2  -188.52836895
+CS  -436.042179865
+Cl  -459.974412249
+Cl2  -920.036519686
+ClF  -559.765633866
+ClO  -535.109618727
+F  -99.6992808274
+F2  -199.456635299
+H  -0.499809811302
+H2CO  -114.464571139
+H2O  -76.4076268631
+H2O2  -151.505317949
+H2S  -399.232852461
+H3COH  -115.685221679
+H3CSH  -438.526608912
+HCN  -93.3955209053
+HCO  -113.811981408
+HCl  -460.642603874
+HF  -100.421616092
+HOCl  -535.772962244
+Li  -7.4713065405
+Li2  -14.9815014356
+LiF  -107.388379424
+LiH  -8.0633701183
+Mg  -199.903988539
+N  -54.5697916625
+N2  -109.498694979
+N2H4  -111.831555415
+NH  -55.2004536427
+NH2  -55.8575938553
+NH3  -56.5409365602
+NO  -129.849662651
+Na  -162.104742749
+Na2  -324.236810896
+NaCl  -622.232733754
+O  -75.0410381372
+O2  -150.269147213
+OH  -75.7092784854
+P  -341.105615427
+P2  -682.389730116
+PH2  -342.347353511
+PH3  -342.98580611
+S  -397.9452532
+S2  -796.046524019
+SO  -473.175638957
+SO2  -548.41277051
+Si  -289.221796293
+Si2  -578.561632648
+Si2H6  -582.289023699
+SiH2_1A1  -290.460285991
+SiH2_3B1  -290.426524693
+SiH3  -291.080857991
+SiH4  -291.734388988
+SiO  -364.560671052
diff --git a/Big_data/Small_core/vtz/data_CC+LDA_val_vtz b/Big_data/Small_core/vtz/data_CC+LDA_val_vtz
new file mode 100644
index 0000000..004b903
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC+LDA_val_vtz
@@ -0,0 +1,68 @@
+Be  -14.6565890978
+BeH  -15.2362237609
+C  -37.7977222662
+C2H2  -77.246770887
+C2H4  -78.5010569385
+C2H6  -79.7407889522
+CH  -38.432752425
+CH2_1A1  -39.0882233932
+CH2_3B1  -39.1039180954
+CH3  -39.7918485343
+CH3Cl  -499.663700787
+CH4  -40.4725050269
+CN  -92.6235744609
+CO  -113.22101458
+CO2  -188.438927414
+CS  -435.77333899
+Cl  -459.733148397
+Cl2  -919.555584485
+ClF  -559.493682804
+ClO  -534.837606249
+F  -99.6672352871
+F2  -199.393366775
+H  -0.499809811302
+H2CO  -114.406054866
+H2O  -76.3771453612
+H2O2  -151.443765783
+H2S  -398.995114909
+H3COH  -115.627363033
+H3CSH  -438.261392883
+HCN  -93.3373886704
+HCO  -113.752339025
+HCl  -460.402282789
+HF  -100.390391799
+HOCl  -535.501728037
+Li  -7.4713065405
+Li2  -14.9815014356
+LiF  -107.357067436
+LiH  -8.0633701183
+Mg  -199.862556215
+N  -54.537436443
+N2  -109.43859337
+N2H4  -111.772983679
+NH  -55.1694840377
+NH2  -55.8276371296
+NH3  -56.5119322351
+NO  -129.788337033
+Na  -162.063397678
+Na2  -324.154163636
+NaCl  -621.951096298
+O  -75.0087544567
+O2  -150.206771921
+OH  -75.6780145222
+P  -340.87016526
+P2  -681.921859154
+PH2  -342.114247329
+PH3  -342.753987668
+S  -397.705297212
+S2  -795.569053059
+SO  -472.90568292
+SO2  -548.113719666
+Si  -288.993347771
+Si2  -578.106734743
+Si2H6  -581.840969554
+SiH2_1A1  -290.236183091
+SiH2_3B1  -290.202734814
+SiH3  -290.855608924
+SiH4  -291.510575039
+SiO  -364.30202978
diff --git a/Big_data/Small_core/vtz/data_CC+PBE_ful_vtz b/Big_data/Small_core/vtz/data_CC+PBE_ful_vtz
new file mode 100644
index 0000000..4d809b3
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC+PBE_ful_vtz
@@ -0,0 +1,68 @@
+Be  -14.6563207949
+BeH  -15.2360381994
+C  -37.8306737028
+C2H2  -77.306577058
+C2H4  -78.5599438337
+C2H6  -79.7983925961
+CH  -38.464386231
+CH2_1A1  -39.1187911742
+CH2_3B1  -39.1339942829
+CH3  -39.8210150862
+CH3Cl  -500.000591732
+CH4  -40.5009401182
+CN  -92.689149989
+CO  -113.290006988
+CO2  -188.542965182
+CS  -436.106290831
+Cl  -460.041617466
+Cl2  -920.171818273
+ClF  -559.842125086
+ClO  -535.182730835
+F  -99.7074947798
+F2  -199.474165398
+H  -0.499809811302
+H2CO  -114.472371145
+H2O  -76.4131805313
+H2O2  -151.516559414
+H2S  -399.294461052
+H3COH  -115.692447182
+H3CSH  -438.589829076
+HCN  -93.4012957079
+HCO  -113.8198866
+HCl  -460.710097152
+HF  -100.430383423
+HOCl  -535.846220951
+Li  -7.4699242911
+Li2  -14.9786164102
+LiF  -107.395274352
+LiH  -8.0617668738
+Mg  -199.944530363
+N  -54.5717536449
+N2  -109.506407492
+N2H4  -111.838200869
+NH  -55.2030417435
+NH2  -55.86053936
+NH3  -56.5440499026
+NO  -129.859035187
+Na  -162.138964357
+Na2  -324.305615978
+NaCl  -622.333926453
+O  -75.0455466813
+O2  -150.279950845
+OH  -75.7144389575
+P  -341.161653032
+P2  -682.503081626
+PH2  -342.403700288
+PH3  -343.042256715
+S  -398.006355757
+S2  -796.169904687
+SO  -473.242836076
+SO2  -548.486918336
+Si  -289.272579691
+Si2  -578.663467702
+Si2H6  -582.39097566
+SiH2_1A1  -290.511886912
+SiH2_3B1  -290.478119019
+SiH3  -291.131847818
+SiH4  -291.785369781
+SiO  -364.61740357
diff --git a/Big_data/Small_core/vtz/data_CC+PBE_val_vtz b/Big_data/Small_core/vtz/data_CC+PBE_val_vtz
new file mode 100644
index 0000000..b102928
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC+PBE_val_vtz
@@ -0,0 +1,68 @@
+Be  -14.6563207949
+BeH  -15.2360381994
+C  -37.7959987455
+C2H2  -77.2441473283
+C2H4  -78.4980608379
+C2H6  -79.7373359498
+CH  -38.4311672779
+CH2_1A1  -39.0866248267
+CH2_3B1  -39.1021287101
+CH3  -39.7900427865
+CH3Cl  -499.659510112
+CH4  -40.4706115777
+CN  -92.6213062433
+CO  -113.219848541
+CO2  -188.437379308
+CS  -435.76990631
+Cl  -459.730315766
+Cl2  -919.550636086
+ClF  -559.492217239
+ClO  -534.834471827
+F  -99.667733394
+F2  -199.395317064
+H  -0.499809811302
+H2CO  -114.404304342
+H2O  -76.3763399462
+H2O2  -151.442452293
+H2S  -398.992229018
+H3COH  -115.625077158
+H3CSH  -438.256966304
+HCN  -93.3351293737
+HCO  -113.750706757
+HCl  -460.39961134
+HF  -100.391233779
+HOCl  -535.498602715
+Li  -7.4699242911
+Li2  -14.9786164102
+LiF  -107.35609058
+LiH  -8.0617668738
+Mg  -199.91447826
+N  -54.5350911173
+N2  -109.436816036
+N2H4  -111.769907982
+NH  -55.1674694675
+NH2  -55.8258262445
+NH3  -56.5101885371
+NO  -129.786764412
+Na  -162.109243109
+Na2  -324.245837229
+NaCl  -621.993776088
+O  -75.0072877371
+O2  -150.205173615
+OH  -75.6769810433
+P  -340.867611279
+P2  -681.917677214
+PH2  -342.111666169
+PH3  -342.751342184
+S  -397.702224791
+S2  -795.563885837
+SO  -472.902435277
+SO2  -548.110960708
+Si  -288.991637529
+Si2  -578.103443582
+Si2H6  -581.83679657
+SiH2_1A1  -290.234569113
+SiH2_3B1  -290.201096114
+SiH3  -290.853554978
+SiH4  -291.50836251
+SiO  -364.299746191
diff --git a/Big_data/Small_core/vtz/data_CC_vtz b/Big_data/Small_core/vtz/data_CC_vtz
new file mode 100644
index 0000000..367b3d8
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC_vtz
@@ -0,0 +1,68 @@
+Be  -14.623790138
+BeH  -15.202843607
+C  -37.789505265
+C2H2  -77.218203819
+C2H4  -78.470474988
+C2H6  -79.707709453
+CH  -38.421443509
+CH2_1A1  -39.07430589
+CH2_3B1  -39.091885105
+CH3  -39.77663803
+CH3Cl  -499.61441006
+CH4  -40.455011914
+CN  -92.592526984
+CO  -113.18049059
+CO2  -188.36832234
+CS  -435.7379497
+Cl  -459.70281197
+Cl2  -919.49048961
+ClF  -559.42416355
+ClO  -534.77823144
+F  -99.63219389
+F2  -199.3201331
+H  -0.499809811302
+H2CO  -114.36227281
+H2O  -76.345747048
+H2O2  -151.38436654
+H2S  -398.97032234
+H3COH  -115.5806161
+H3CSH  -438.22032214
+HCN  -93.303509292
+HCO  -113.71078275
+HCl  -460.36931959
+HF  -100.35134022
+HOCl  -535.43952665
+Li  -7.4460657819
+Li2  -14.930948732
+LiF  -107.29124771
+LiH  -8.0366472499
+Mg  -199.6660607
+N  -54.524861993
+N2  -109.39988962
+N2H4  -111.72768877
+NH  -55.152444992
+NH2  -55.806923726
+NH3  -56.488209045
+NO  -129.74213614
+Na  -161.86981399
+Na2  -323.76908346
+NaCl  -621.72250717
+O  -74.984935661
+O2  -150.15336853
+OH  -75.649992739
+P  -340.8601283
+P2  -681.88990642
+PH2  -342.09864017
+PH3  -342.73634834
+S  -397.68556974
+S2  -795.52296882
+SO  -472.85570051
+SO2  -548.03165774
+Si  -288.98707734
+Si2  -578.08943861
+Si2H6  -581.81525261
+SiH2_1A1  -290.22748478
+SiH2_3B1  -290.19514576
+SiH3  -290.84459767
+SiH4  -291.49745353
+SiO  -364.26311148
diff --git a/Big_data/Small_core/vtz/data_CC_vtz_g09 b/Big_data/Small_core/vtz/data_CC_vtz_g09
new file mode 100644
index 0000000..4878c19
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_CC_vtz_g09
@@ -0,0 +1,68 @@
+Be -0.14623790138D+02
+BeH -0.15202843607D+02
+C -0.37789505265D+02
+C2H2 -0.77218203819D+02
+C2H4 -0.78470474988D+02
+C2H6 -0.79707709453D+02
+CH -0.38421443509D+02
+CH2_1A1 -0.39074305890D+02
+CH2_3B1 -0.39091885105D+02
+CH3 -0.39776638030D+02
+CH3Cl -0.49961441006D+03
+CH4 -0.40455011914D+02
+CN -0.92592526984D+02
+CO -0.11318049059D+03
+CO2 -0.18836832234D+03
+CS -0.43573794970D+03
+Cl -0.45970281197D+03
+Cl2 -0.91949048961D+03
+ClF -0.55942416355D+03
+ClO -0.53477823144D+03
+F -0.99632193890D+02
+F2 -0.19932013310D+03
+H  -0.499809811302
+H2CO -0.11436227281D+03
+H2O -0.76345747048D+02
+H2O2 -0.15138436654D+03
+H2S -0.39897032234D+03
+H3COH -0.11558061610D+03
+H3CSH -0.43822032214D+03
+HCN -0.93303509292D+02
+HCO -0.11371078275D+03
+HCl -0.46036931959D+03
+HF -0.10035134022D+03
+HOCl -0.53543952665D+03
+Li -0.74460657819D+01
+Li2 -0.14930948732D+02
+LiF -0.10729124771D+03
+LiH -0.80366472499D+01
+Mg -0.19966606070D+03
+N -0.54524861993D+02
+N2 -0.10939988962D+03
+N2H4 -0.11172768877D+03
+NH -0.55152444992D+02
+NH2 -0.55806923726D+02
+NH3 -0.56488209045D+02
+NO -0.12974213614D+03
+Na -0.16186981399D+03
+Na2 -0.32376908346D+03
+NaCl -0.62172250717D+03
+O -0.74984935661D+02
+O2 -0.15015336853D+03
+OH -0.75649992739D+02
+P -0.34086012830D+03
+P2 -0.68188990642D+03
+PH2 -0.34209864017D+03
+PH3 -0.34273634834D+03
+S -0.39768556974D+03
+S2 -0.79552296882D+03
+SO -0.47285570051D+03
+SO2 -0.54803165774D+03
+Si -0.28898707734D+03
+Si2 -0.57808943861D+03
+Si2H6 -0.58181525261D+03
+SiH2_1A1 -0.29022748478D+03
+SiH2_3B1 -0.29019514576D+03
+SiH3 -0.29084459767D+03
+SiH4 -0.29149745353D+03
+SiO -0.36426311148D+03
diff --git a/Big_data/Small_core/vtz/data_HF_vtz b/Big_data/Small_core/vtz/data_HF_vtz
new file mode 100644
index 0000000..34b9b97
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_HF_vtz
@@ -0,0 +1,68 @@
+Be -14.57287346825271
+BeH -15.15206343502708
+C -37.68670805140204
+C2H2 -76.84974522333661
+C2H4 -78.06379821004553
+C2H6 -79.25955458416693
+CH -38.27667596679590
+CH2_1A1 -38.89174430413944
+CH2_3B1 -38.93203982527262
+CH3 -39.57284524401498
+CH3Cl -499.1475385042579
+CH4 -40.21321494661727
+CN -92.21791957830477
+CO -112.7800150875000
+CO2 -187.7065977685389
+CS -435.3523858921484
+Cl -459.4798365835574
+Cl2 -918.9983349505171
+ClF -558.9001225353065
+ClO -534.2964876399504
+F -99.40093527229371
+F2 -198.7548734618071
+H -0.4998098113018435
+H2CO -113.9117970698719
+H2O -76.05674561035146
+H2O2 -150.8360942994446
+H2S -398.7127820525490
+H3COH -115.0889211523879
+H3CSH -437.7562436496634
+HCN -92.90824524729561
+HCO -113.2867026835059
+HCl -460.1066813309198
+HF -100.0578909663864
+HOCl -534.9187937925880
+Li -7.432678855856072
+Li2 -14.87158417233550
+LiF -106.9801204660351
+LiH -7.986647754419305
+Mg -199.6133474138453
+N -54.39735784511185
+N2 -108.9832538669589
+N2H4 -111.2236093061437
+NH -54.97327941489279
+NH2 -55.58064355849948
+NH3 -56.21735962068936
+NO -129.2889183157608
+Na -161.8579959440227
+Na2 -323.7145598827865
+NaCl -621.4535390473015
+O -74.80564442257051
+O2 -149.6527978586321
+OH -75.41418409285936
+P -340.7159838199397
+P2 -681.4895770486576
+PH2 -341.8813296277357
+PH3 -342.4871626164872
+S -397.5036123554730
+S2 -795.0810068096927
+SO -472.3845097372063
+SO2 -547.2856189439703
+Si -288.8521514957108
+Si2 -577.7737250529183
+Si2H6 -581.3708507653093
+SiH2_1A1 -290.0303049379488
+SiH2_3B1 -290.0217333471965
+SiH3 -290.6386967179791
+SiH4 -291.2605464697609
+SiO -363.8387084740871
diff --git a/Big_data/Small_core/vtz/data_HF_vtz_g09 b/Big_data/Small_core/vtz/data_HF_vtz_g09
new file mode 100644
index 0000000..ab97a73
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_HF_vtz_g09
@@ -0,0 +1,68 @@
+Be -14.5728734683
+BeH -15.1520634336
+C -37.6867080510
+C2H2 -76.8497451593
+C2H4 -78.0637981585
+C2H6 -79.2595545398
+CH -38.2766759531
+CH2_1A1 -38.8917442758
+CH2_3B1 -38.9320398031
+CH3 -39.5728452023
+CH3Cl -499.147538456
+CH4 -40.2132149128
+CN -92.2179193957
+CO -112.780014938
+CO2 -187.706597478
+CS -435.352385868
+Cl -459.479836512
+Cl2 -918.998334741
+ClF -558.900122361
+ClO -534.296487509
+F -99.4009352589
+F2 -198.754873468
+H -0.499809811302
+H2CO -113.911797007
+H2O -76.0567455313
+H2O2 -150.836094251
+H2S -398.712782062
+H3COH -115.088921072
+H3CSH -437.756243637
+HCN -92.9082451344
+HCO -113.286702635
+HCl -460.106681304
+HF -100.057890899
+HOCl -534.918793658
+Li -7.43267885824
+Li2 -14.8715841772
+LiF -106.980120380
+LiH -7.98664775728
+Mg -199.613347406
+N -54.3973578376
+N2 -108.983253708
+N2H4 -111.223609225
+NH -54.9732793879
+NH2 -55.5806435313
+NH3 -56.2173595670
+NO -129.288918187
+Na -161.857995939
+Na2 -323.714559865
+NaCl -621.453539083
+O -74.8056444139
+O2 -149.652797894
+OH -75.4141840338
+P -340.715983797
+P2 -681.489576996
+PH2 -341.881329608
+PH3 -342.487162587
+S -397.503612308
+S2 -795.081006697
+SO -472.384509583
+SO2 -547.285618713
+Si -288.852151488
+Si2 -577.773725037
+Si2H6 -581.370850734
+SiH2_1A1 -290.030181359
+SiH2_3B1 -290.021645441
+SiH3 -290.638696702
+SiH4 -291.260546456
+SiO -363.838708411
diff --git a/Big_data/Small_core/vtz/data_LDA_vtz b/Big_data/Small_core/vtz/data_LDA_vtz
new file mode 100644
index 0000000..703031e
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_LDA_vtz
@@ -0,0 +1,68 @@
+Be -0.0327989598 -0.0327989598
+BeH -0.0333801539 -0.0333801539
+C -0.0401180931 -0.0082170012
+C2H2 -0.0846907991 -0.0285670680
+C2H4 -0.0861738057 -0.0305819505
+C2H6 -0.0878086275 -0.0330794992
+CH -0.0414726030 -0.0113089160
+CH2_1A1 -0.0429234590 -0.0139175032
+CH2_3B1 -0.0407741586 -0.0120329904
+CH3 -0.0431000736 -0.0152105043
+CH3Cl -0.3170219303 -0.0492907271
+CH4 -0.0447416356 -0.0174931129
+CN -0.0910279914 -0.0310474769
+CO -0.1011619981 -0.0405239904
+CO2 -0.1600466096 -0.0706050744
+CS -0.3042301655 -0.0353892900
+Cl -0.2716002787 -0.0303364272
+Cl2 -0.5460300760 -0.0650948749
+ClF -0.3414703156 -0.0695192538
+ClO -0.3313872875 -0.0593748094
+F -0.0670869374 -0.0350413971
+F2 -0.1365021988 -0.0732336749
+H -0.0000000000 -0.0000000000
+H2CO -0.1022983288 -0.0437820557
+H2O -0.0618798151 -0.0313983132
+H2O2 -0.1209514091 -0.0593992429
+H2S -0.2625301206 -0.0247925688
+H3COH -0.1046055790 -0.0467469333
+H3CSH -0.3062867717 -0.0410707426
+HCN -0.0920116133 -0.0338793784
+HCO -0.1011986577 -0.0415562746
+HCl -0.2732842838 -0.0329631992
+HF -0.0702758722 -0.0390515788
+HOCl -0.3334355943 -0.0622013870
+Li -0.0252407586 -0.0252407586
+Li2 -0.0505527036 -0.0505527036
+LiF -0.0971317138 -0.0658197256
+LiH -0.0267228684 -0.0267228684
+Mg -0.2379278391 -0.1964955151
+N -0.0449296695 -0.0125744500
+N2 -0.0988053590 -0.0387037497
+N2H4 -0.1038666453 -0.0452949086
+NH -0.0480086507 -0.0170390457
+NH2 -0.0506701293 -0.0207134036
+NH3 -0.0527275152 -0.0237231901
+NO -0.1075265106 -0.0462008929
+Na -0.2349287586 -0.1935836879
+Na2 -0.4677274364 -0.3850801760
+NaCl -0.5102265837 -0.2285891276
+O -0.0561024762 -0.0238187957
+O2 -0.1157786835 -0.0534033907
+OH -0.0592857464 -0.0280217832
+P -0.2454871270 -0.0100369599
+P2 -0.4998236961 -0.0319527336
+PH2 -0.2487133414 -0.0156071588
+PH3 -0.2494577700 -0.0176393280
+S -0.2596834599 -0.0197274715
+S2 -0.5235551985 -0.0460842388
+SO -0.3199384469 -0.0499824101
+SO2 -0.3811127705 -0.0820619255
+Si -0.2347189528 -0.0062704310
+Si2 -0.4721940381 -0.0172961327
+Si2H6 -0.4737710886 -0.0257169440
+SiH2_1A1 -0.2328012114 -0.0086983106  
+SiH2_3B1 -0.2313789330 -0.0075890537
+SiH3 -0.2362603214 -0.0110112545
+SiH4 -0.2369354578 -0.0131215091
+SiO -0.2975595719 -0.0389182995
diff --git a/Big_data/Small_core/vtz/data_PBE_vtz b/Big_data/Small_core/vtz/data_PBE_vtz
new file mode 100644
index 0000000..4c94385
--- /dev/null
+++ b/Big_data/Small_core/vtz/data_PBE_vtz
@@ -0,0 +1,68 @@
+Be -0.0325306569 -0.0325306569
+BeH -0.0331945924 -0.0331945924
+C -0.0411684378 -0.0064934805
+C2H2 -0.0883732390 -0.0259435093
+C2H4 -0.0894688457 -0.0275858499
+C2H6 -0.0906831431 -0.0296264968
+CH -0.0429427220 -0.0097237689
+CH2_1A1 -0.0444852842 -0.0123189367
+CH2_3B1 -0.0421091779 -0.0102436051
+CH3 -0.0443770562 -0.0134047565
+CH3Cl -0.3861816724 -0.0451000521
+CH4 -0.0459282042 -0.0155996637
+CN -0.0966230050 -0.0287792593
+CO -0.1095163979 -0.0393579515
+CO2 -0.1746428416 -0.0690569677
+CS -0.3683411313 -0.0319566099
+Cl -0.3388054959 -0.0275037956
+Cl2 -0.6813286632 -0.0601464762
+ClF -0.4179615358 -0.0680536891
+ClO -0.4044993952 -0.0562403873
+F -0.0753008898 -0.0355395040
+F2 -0.1540322978 -0.0751839636
+H 0.0000000000 0.0000000000
+H2CO -0.1100983348 -0.0420315324
+H2O -0.0674334833 -0.0305928982
+H2O2 -0.1321928738 -0.0580857532
+H2S -0.3241387118 -0.0219066781
+H3COH -0.1118310819 -0.0444610579
+H3CSH -0.3695069357 -0.0366441645
+HCN -0.0977864159 -0.0316200817
+HCO -0.1091038503 -0.0399240074
+HCl -0.3407775618 -0.0302917498
+HF -0.0790432028 -0.0398935587
+HOCl -0.4066943011 -0.0590760649
+Li -0.0238585092 -0.0238585092
+Li2 -0.0476676782 -0.0476676782
+LiF -0.1040266425 -0.0648428704
+LiH -0.0251196239 -0.0251196239
+Mg -0.2784696629 -0.2484175599
+N -0.0468916519 -0.0102291243
+N2 -0.1065178723 -0.0369264156
+N2H4 -0.1105120995 -0.0422192119
+NH -0.0505967515 -0.0150244755
+NH2 -0.0536156340 -0.0189025185
+NH3 -0.0558408576 -0.0219794921
+NO -0.1168990468 -0.0446282721
+Na -0.2691503667 -0.2394291191
+Na2 -0.5365325185 -0.4767537691
+NaCl -0.6114192833 -0.2712689181
+O -0.0606110203 -0.0223520761
+O2 -0.1265823150 -0.0518050854
+OH -0.0644462185 -0.0269883043
+P -0.3015247321 -0.0074829792
+P2 -0.6131752059 -0.0277707943
+PH2 -0.3050601181 -0.0130259989
+PH3 -0.3059083753 -0.0149938440
+S -0.3207860166 -0.0166550513
+S2 -0.6469358670 -0.0409170166
+SO -0.3871355659 -0.0467347673
+SO2 -0.4552605964 -0.0793029681
+Si -0.2855023506 -0.0045601889
+Si2 -0.5740290921 -0.0140049717
+Si2H6 -0.5757230504 -0.0215439598
+SiH2_1A1 -0.2844021324 -0.0070843332 
+SiH2_3B1 -0.2829732592 -0.0059503541
+SiH3 -0.2872501484 -0.0089573078
+SiH4 -0.2879162508 -0.0109089799
+SiO -0.3542920898 -0.0366347108
diff --git a/Big_data/Small_core/vtz/produce_data_DFT.py b/Big_data/Small_core/vtz/produce_data_DFT.py
new file mode 100755
index 0000000..b1229b3
--- /dev/null
+++ b/Big_data/Small_core/vtz/produce_data_DFT.py
@@ -0,0 +1,49 @@
+#!/usr/bin/env python2
+
+import sys
+
+basis = sys.argv[1]
+
+filecc = "data_CC_"+basis+"_g09"
+fileLDA = "data_LDA_"+basis
+filePBE = "data_PBE_"+basis
+
+cc = []
+LDA_ful = []
+LDA_val = []
+PBE_ful = []
+PBE_val = []
+system = []
+
+with open(filecc, "r") as fp:
+   for line in fp:
+     a=line.split()
+     system.append(a[0])
+     b = a[1].replace("D","E")
+     cc.append(float(b))
+
+with open(fileLDA, "r") as fp:
+   for line in fp:
+     a=line.split()
+     LDA_ful.append(float(a[1]))
+     LDA_val.append(float(a[2]))
+
+with open(filePBE, "r") as fp:
+   for line in fp:
+     a=line.split()
+     PBE_ful.append(float(a[1]))
+     PBE_val.append(float(a[2]))
+
+file_output_cc      = open("data_CC_"+basis,"w+")
+file_output_LDA_ful = open("data_CC+LDA_ful_"+basis,"w+")
+file_output_LDA_val = open("data_CC+LDA_val_"+basis,"w+")
+file_output_PBE_ful = open("data_CC+PBE_ful_"+basis,"w+")
+file_output_PBE_val = open("data_CC+PBE_val_"+basis,"w+")
+icount = 0
+for e in cc:
+ file_output_cc.write(system[icount]+'  '+str(e) +'\n')
+ file_output_LDA_ful.write(system[icount]+'  '+str(e + LDA_ful[icount]) +'\n')
+ file_output_LDA_val.write(system[icount]+'  '+str(e + LDA_val[icount]) +'\n')
+ file_output_PBE_ful.write(system[icount]+'  '+str(e + PBE_ful[icount]) +'\n')
+ file_output_PBE_val.write(system[icount]+'  '+str(e + PBE_val[icount]) +'\n')
+ icount += 1