diff --git a/Ref/Inputs_G1/Al.xyz b/Ref/Inputs_G1/Al.xyz
new file mode 100644
index 0000000..58f470f
--- /dev/null
+++ b/Ref/Inputs_G1/Al.xyz
@@ -0,0 +1,2 @@
+0,2
+Al
diff --git a/Ref/Inputs_G1/B.xyz b/Ref/Inputs_G1/B.xyz
new file mode 100644
index 0000000..25c2c68
--- /dev/null
+++ b/Ref/Inputs_G1/B.xyz
@@ -0,0 +1,2 @@
+0,2
+B
diff --git a/Ref/Inputs_G1/Be.xyz b/Ref/Inputs_G1/Be.xyz
new file mode 100644
index 0000000..2f075c2
--- /dev/null
+++ b/Ref/Inputs_G1/Be.xyz
@@ -0,0 +1,2 @@
+0,1
+Be
diff --git a/Ref/Inputs_G1/BeH.xyz b/Ref/Inputs_G1/BeH.xyz
new file mode 100644
index 0000000..4ff32ad
--- /dev/null
+++ b/Ref/Inputs_G1/BeH.xyz
@@ -0,0 +1,5 @@
+0,2
+Be
+H,1,RBEH
+
+RBEH=1.34380733
diff --git a/Ref/Inputs_G1/C.xyz b/Ref/Inputs_G1/C.xyz
new file mode 100644
index 0000000..0094d54
--- /dev/null
+++ b/Ref/Inputs_G1/C.xyz
@@ -0,0 +1,2 @@
+0,3
+C
diff --git a/Ref/Inputs_G1/C2H2 b/Ref/Inputs_G1/C2H2
new file mode 100644
index 0000000..e8d6d4b
--- /dev/null
+++ b/Ref/Inputs_G1/C2H2
@@ -0,0 +1,9 @@
+C
+C 1 CC
+X 2 1. 1 90.
+H 2 CH 3 90. 1 180. 0
+X 1 1. 2 90. 3 180. 0
+H 1 CH 5 90. 2 180. 0
+ 
+CC=1.1989086
+CH=1.06216907
diff --git a/Ref/Inputs_G1/C2H2.xyz b/Ref/Inputs_G1/C2H2.xyz
new file mode 100644
index 0000000..b46143f
--- /dev/null
+++ b/Ref/Inputs_G1/C2H2.xyz
@@ -0,0 +1,10 @@
+0,1
+C
+C,1,CC
+X,2,1.,1,90.
+H,2,CH,3,90.,1,180.,0
+X,1,1.,2,90.,3,180.,0
+H,1,CH,5,90.,2,180.,0
+
+CC=1.1989086
+CH=1.06216907
diff --git a/Ref/Inputs_G1/C2H4.xyz b/Ref/Inputs_G1/C2H4.xyz
new file mode 100644
index 0000000..6afa849
--- /dev/null
+++ b/Ref/Inputs_G1/C2H4.xyz
@@ -0,0 +1,11 @@
+0,1
+C
+C,1,RCC
+H,1,RCH,2,HCC
+H,1,RCH,2,HCC,3,180.,0
+H,2,RCH,1,HCC,3,0.,0
+H,2,RCH,1,HCC,3,180.,0
+
+RCC=1.32718886
+RCH=1.08577456
+HCC=121.95017938
diff --git a/Ref/Inputs_G1/C2H6.xyz b/Ref/Inputs_G1/C2H6.xyz
new file mode 100644
index 0000000..b89f27b
--- /dev/null
+++ b/Ref/Inputs_G1/C2H6.xyz
@@ -0,0 +1,13 @@
+0,1
+C
+C,1,AA
+H,1,AH,2,HAA
+H,1,AH,2,HAA,3,120.,0
+H,1,AH,2,HAA,3,-120.,0
+H,2,AH,1,HAA,3,180.,0
+H,2,AH,1,HAA,6,120.,0
+H,2,AH,1,HAA,6,-120.,0
+
+AA=1.53003633
+AH=1.09484731
+HAA=111.3741399
diff --git a/Ref/Inputs_G1/CH.xyz b/Ref/Inputs_G1/CH.xyz
new file mode 100644
index 0000000..b3509f2
--- /dev/null
+++ b/Ref/Inputs_G1/CH.xyz
@@ -0,0 +1,5 @@
+0,2
+C
+H,1,RCH
+
+RCH=1.13062603
diff --git a/Ref/Inputs_G1/CH2_1A1.xyz b/Ref/Inputs_G1/CH2_1A1.xyz
new file mode 100644
index 0000000..45723ac
--- /dev/null
+++ b/Ref/Inputs_G1/CH2_1A1.xyz
@@ -0,0 +1,7 @@
+0,1
+C
+H,1,CH
+H,1,CH,2,HCH
+
+CH=1.11792921
+HCH=99.85526193
diff --git a/Ref/Inputs_G1/CH2_3B1.xyz b/Ref/Inputs_G1/CH2_3B1.xyz
new file mode 100644
index 0000000..f95a40a
--- /dev/null
+++ b/Ref/Inputs_G1/CH2_3B1.xyz
@@ -0,0 +1,7 @@
+0,3
+C
+H,1,RCH
+H,1,RCH,2,HCH
+
+RCH=1.08097342
+HCH=133.83742404
diff --git a/Ref/Inputs_G1/CH3.xyz b/Ref/Inputs_G1/CH3.xyz
new file mode 100644
index 0000000..094bd8b
--- /dev/null
+++ b/Ref/Inputs_G1/CH3.xyz
@@ -0,0 +1,6 @@
+0,2
+C
+H,1,CH
+H,1,CH,2,120.
+H,1,CH,2,120.,3,180.,0
+CH=1.08130823
diff --git a/Ref/Inputs_G1/CH3Cl.xyz b/Ref/Inputs_G1/CH3Cl.xyz
new file mode 100644
index 0000000..388aac6
--- /dev/null
+++ b/Ref/Inputs_G1/CH3Cl.xyz
@@ -0,0 +1,10 @@
+0,1
+C
+Cl,1,CCl
+H,1,CH,2,HCCl
+H,1,CH,2,HCCl,3,120.,0
+H,1,CH,2,HCCl,3,240.,0
+
+CCl=1.79885648
+CH=1.08881113
+HCCl=108.3077969
diff --git a/Ref/Inputs_G1/CH3SH.xyz b/Ref/Inputs_G1/CH3SH.xyz
new file mode 100644
index 0000000..65caa4b
--- /dev/null
+++ b/Ref/Inputs_G1/CH3SH.xyz
@@ -0,0 +1,17 @@
+0,1
+C
+S,1,CS
+H,2,SH,1,CSH
+H,1,CHA,2,HACS,3,180.,0
+X,1,1.,2,XCS,3,0.,0
+H,1,CHB,5,HALF,2,90.,0
+H,1,CHB,5,HALF,2,-90.,0
+
+CS=1.82939003
+SH=1.34584251
+CHA=1.09139903
+CHB=1.09069821
+CSH=97.1035912
+HACS=106.02325623
+XCS=129.48465195
+HALF=55.21415843
diff --git a/Ref/Inputs_G1/CH4.xyz b/Ref/Inputs_G1/CH4.xyz
new file mode 100644
index 0000000..3895f06
--- /dev/null
+++ b/Ref/Inputs_G1/CH4.xyz
@@ -0,0 +1,8 @@
+0,1
+C
+H,1,RCH
+H,1,RCH,2,109.47122063
+H,1,RCH,2,109.47122063,3,109.47122063,1
+H,1,RCH,2,109.47122063,3,109.47122063,-1
+
+RCH=1.09185419
diff --git a/Ref/Inputs_G1/CH4O.xyz b/Ref/Inputs_G1/CH4O.xyz
new file mode 100644
index 0000000..f43b194
--- /dev/null
+++ b/Ref/Inputs_G1/CH4O.xyz
@@ -0,0 +1,17 @@
+0,1
+C
+O,1,AB
+H,1,AH3,2,H3AB
+H,2,BH9,1,H9BA,3,180.,0
+X,1,1.,2,BAH12,3,180.,0
+H,1,AH1,5,H1AH2,2,90.,0
+H,1,AH1,5,H1AH2,2,-90.,0
+
+AB=1.41526798
+AH1=1.10037418
+AH3=1.09348232
+BH9=0.96129158
+H1AH2=54.13726394
+BAH12=131.31510075
+H3AB=106.94071399
+H9BA=107.8511363
diff --git a/Ref/Inputs_G1/CN.xyz b/Ref/Inputs_G1/CN.xyz
new file mode 100644
index 0000000..c968479
--- /dev/null
+++ b/Ref/Inputs_G1/CN.xyz
@@ -0,0 +1,5 @@
+0,2
+C
+N,1,R
+
+R=1.16945125
diff --git a/Ref/Inputs_G1/CO.xyz b/Ref/Inputs_G1/CO.xyz
new file mode 100644
index 0000000..9ad27e9
--- /dev/null
+++ b/Ref/Inputs_G1/CO.xyz
@@ -0,0 +1,5 @@
+0,1
+O
+C,1,RCO
+
+RCO=1.1309114
diff --git a/Ref/Inputs_G1/CO2.xyz b/Ref/Inputs_G1/CO2.xyz
new file mode 100644
index 0000000..d4fe15f
--- /dev/null
+++ b/Ref/Inputs_G1/CO2.xyz
@@ -0,0 +1,7 @@
+0,1
+C
+O,1,R
+X,1,1.,2,90.
+O,1,R,3,90.,2,180.,0
+
+R=1.16287946
diff --git a/Ref/Inputs_G1/CS.xyz b/Ref/Inputs_G1/CS.xyz
new file mode 100644
index 0000000..f7bc3f2
--- /dev/null
+++ b/Ref/Inputs_G1/CS.xyz
@@ -0,0 +1,5 @@
+0,1
+C
+S,1,CS
+
+CS=1.54093216
diff --git a/Ref/Inputs_G1/Cl.xyz b/Ref/Inputs_G1/Cl.xyz
new file mode 100644
index 0000000..7d2160b
--- /dev/null
+++ b/Ref/Inputs_G1/Cl.xyz
@@ -0,0 +1,2 @@
+0,2
+Cl
diff --git a/Ref/Inputs_G1/Cl2.xyz b/Ref/Inputs_G1/Cl2.xyz
new file mode 100644
index 0000000..85261f1
--- /dev/null
+++ b/Ref/Inputs_G1/Cl2.xyz
@@ -0,0 +1,5 @@
+0,1
+Cl
+Cl,1,R
+
+R=2.01648224
diff --git a/Ref/Inputs_G1/ClF.xyz b/Ref/Inputs_G1/ClF.xyz
new file mode 100644
index 0000000..c6102ea
--- /dev/null
+++ b/Ref/Inputs_G1/ClF.xyz
@@ -0,0 +1,5 @@
+0,1
+F
+Cl,1,R1
+
+R1=1.64275079
diff --git a/Ref/Inputs_G1/ClO.xyz b/Ref/Inputs_G1/ClO.xyz
new file mode 100644
index 0000000..880a367
--- /dev/null
+++ b/Ref/Inputs_G1/ClO.xyz
@@ -0,0 +1,5 @@
+0,2
+Cl
+O,1,R
+
+R=1.59262773
diff --git a/Ref/Inputs_G1/F.xyz b/Ref/Inputs_G1/F.xyz
new file mode 100644
index 0000000..d50f310
--- /dev/null
+++ b/Ref/Inputs_G1/F.xyz
@@ -0,0 +1,2 @@
+0,2
+F
diff --git a/Ref/Inputs_G1/F2.xyz b/Ref/Inputs_G1/F2.xyz
new file mode 100644
index 0000000..987043f
--- /dev/null
+++ b/Ref/Inputs_G1/F2.xyz
@@ -0,0 +1,5 @@
+0,1
+F
+F,1,FF
+
+FF=1.38792514
diff --git a/Ref/Inputs_G1/H.xyz b/Ref/Inputs_G1/H.xyz
new file mode 100644
index 0000000..a89c19f
--- /dev/null
+++ b/Ref/Inputs_G1/H.xyz
@@ -0,0 +1,2 @@
+0,2
+H
diff --git a/Ref/Inputs_G1/H2CO.xyz b/Ref/Inputs_G1/H2CO.xyz
new file mode 100644
index 0000000..4317c1b
--- /dev/null
+++ b/Ref/Inputs_G1/H2CO.xyz
@@ -0,0 +1,9 @@
+0,1
+O
+C,1,RCO
+H,2,RH,1,THETA
+H,2,RH,1,THETA,3,180.,0
+
+RCO=1.19995954
+THETA=122.47953272
+RH=1.1108676
diff --git a/Ref/Inputs_G1/H2O.xyz b/Ref/Inputs_G1/H2O.xyz
new file mode 100644
index 0000000..acb9d7a
--- /dev/null
+++ b/Ref/Inputs_G1/H2O.xyz
@@ -0,0 +1,7 @@
+0,1
+O
+H,1,OH
+H,1,OH,2,HOH
+
+OH=0.96210248
+HOH=103.71685008
diff --git a/Ref/Inputs_G1/H2O2.xyz b/Ref/Inputs_G1/H2O2.xyz
new file mode 100644
index 0000000..a8cdcc4
--- /dev/null
+++ b/Ref/Inputs_G1/H2O2.xyz
@@ -0,0 +1,10 @@
+0,1
+O
+O,1,AA
+H,1,AH4,2,H4AA
+H,2,AH4,1,H4AA,3,H4AAH8,0
+
+AA=1.44582784
+AH4=0.9672488
+H4AA=100.44937014
+H4AAH8=112.33679746
diff --git a/Ref/Inputs_G1/H2S.xyz b/Ref/Inputs_G1/H2S.xyz
new file mode 100644
index 0000000..efbb13f
--- /dev/null
+++ b/Ref/Inputs_G1/H2S.xyz
@@ -0,0 +1,8 @@
+0,1
+S
+X,1,1.
+H,1,R,2,A
+H,1,R,2,A,3,180.,0
+
+R=1.34531822
+A=46.20925632
diff --git a/Ref/Inputs_G1/H3COH.xyz b/Ref/Inputs_G1/H3COH.xyz
new file mode 100644
index 0000000..f43b194
--- /dev/null
+++ b/Ref/Inputs_G1/H3COH.xyz
@@ -0,0 +1,17 @@
+0,1
+C
+O,1,AB
+H,1,AH3,2,H3AB
+H,2,BH9,1,H9BA,3,180.,0
+X,1,1.,2,BAH12,3,180.,0
+H,1,AH1,5,H1AH2,2,90.,0
+H,1,AH1,5,H1AH2,2,-90.,0
+
+AB=1.41526798
+AH1=1.10037418
+AH3=1.09348232
+BH9=0.96129158
+H1AH2=54.13726394
+BAH12=131.31510075
+H3AB=106.94071399
+H9BA=107.8511363
diff --git a/Ref/Inputs_G1/H3CSH.xyz b/Ref/Inputs_G1/H3CSH.xyz
new file mode 100644
index 0000000..65caa4b
--- /dev/null
+++ b/Ref/Inputs_G1/H3CSH.xyz
@@ -0,0 +1,17 @@
+0,1
+C
+S,1,CS
+H,2,SH,1,CSH
+H,1,CHA,2,HACS,3,180.,0
+X,1,1.,2,XCS,3,0.,0
+H,1,CHB,5,HALF,2,90.,0
+H,1,CHB,5,HALF,2,-90.,0
+
+CS=1.82939003
+SH=1.34584251
+CHA=1.09139903
+CHB=1.09069821
+CSH=97.1035912
+HACS=106.02325623
+XCS=129.48465195
+HALF=55.21415843
diff --git a/Ref/Inputs_G1/H3CSH.zmt b/Ref/Inputs_G1/H3CSH.zmt
new file mode 100644
index 0000000..e4b39cf
--- /dev/null
+++ b/Ref/Inputs_G1/H3CSH.zmt
@@ -0,0 +1,16 @@
+C
+S 1 CS
+H 2 SH 1 CSH
+H 1 CHA 2 HACS 3 180.
+X 1 1. 2 XCS 3 0.
+H 1 CHB 5 HALF 2 90.
+H 1 CHB 5 HALF 2 -90.
+ 
+CS 1.82939003
+SH 1.34584251
+CHA 1.09139903
+CHB 1.09069821
+CSH 97.1035912
+HACS 106.02325623
+XCS 129.48465195
+HALF 55.21415843
diff --git a/Ref/Inputs_G1/HCN.xyz b/Ref/Inputs_G1/HCN.xyz
new file mode 100644
index 0000000..8517cd0
--- /dev/null
+++ b/Ref/Inputs_G1/HCN.xyz
@@ -0,0 +1,8 @@
+0,1
+C
+N,1,AB
+X,1,1.,2,90.
+H,1,AH,3,90.,2,180.,0
+
+AB=1.15174191
+AH=1.06658792
diff --git a/Ref/Inputs_G1/HCO.xyz b/Ref/Inputs_G1/HCO.xyz
new file mode 100644
index 0000000..d2b7124
--- /dev/null
+++ b/Ref/Inputs_G1/HCO.xyz
@@ -0,0 +1,8 @@
+0,2
+C
+O,1,CO
+H,1,CH,2,HCO
+
+CO=1.17621067
+CH=1.12859543
+HCO=124.03532275
diff --git a/Ref/Inputs_G1/HCl.xyz b/Ref/Inputs_G1/HCl.xyz
new file mode 100644
index 0000000..3fd1528
--- /dev/null
+++ b/Ref/Inputs_G1/HCl.xyz
@@ -0,0 +1,5 @@
+0,1
+Cl
+H,1,R
+
+R=1.28367324
diff --git a/Ref/Inputs_G1/HF.xyz b/Ref/Inputs_G1/HF.xyz
new file mode 100644
index 0000000..9881cf2
--- /dev/null
+++ b/Ref/Inputs_G1/HF.xyz
@@ -0,0 +1,5 @@
+0,1
+F
+H,1,R
+
+R=0.91945793
diff --git a/Ref/Inputs_G1/HOCl.xyz b/Ref/Inputs_G1/HOCl.xyz
new file mode 100644
index 0000000..f5571d8
--- /dev/null
+++ b/Ref/Inputs_G1/HOCl.xyz
@@ -0,0 +1,8 @@
+0,1
+O
+H,1,OH
+Cl,1,OCl,2,HOCl
+
+OH=0.96804646
+OCl=1.7074574
+HOCl=102.46612245
diff --git a/Ref/Inputs_G1/Li.xyz b/Ref/Inputs_G1/Li.xyz
new file mode 100644
index 0000000..e965a72
--- /dev/null
+++ b/Ref/Inputs_G1/Li.xyz
@@ -0,0 +1,2 @@
+0,2
+Li
diff --git a/Ref/Inputs_G1/Li2.xyz b/Ref/Inputs_G1/Li2.xyz
new file mode 100644
index 0000000..b5c5ead
--- /dev/null
+++ b/Ref/Inputs_G1/Li2.xyz
@@ -0,0 +1,5 @@
+0,1
+Li
+Li,1,R
+
+R=2.72127987
diff --git a/Ref/Inputs_G1/LiF.xyz b/Ref/Inputs_G1/LiF.xyz
new file mode 100644
index 0000000..e63c816
--- /dev/null
+++ b/Ref/Inputs_G1/LiF.xyz
@@ -0,0 +1,5 @@
+0,1
+Li
+F,1,LiF
+
+LiF=1.56359565
diff --git a/Ref/Inputs_G1/LiH.xyz b/Ref/Inputs_G1/LiH.xyz
new file mode 100644
index 0000000..34243f8
--- /dev/null
+++ b/Ref/Inputs_G1/LiH.xyz
@@ -0,0 +1,5 @@
+0,1
+Li
+H,1,R
+
+R=1.61452972
diff --git a/Ref/Inputs_G1/Mg.xyz b/Ref/Inputs_G1/Mg.xyz
new file mode 100644
index 0000000..2d715bb
--- /dev/null
+++ b/Ref/Inputs_G1/Mg.xyz
@@ -0,0 +1,2 @@
+0,1
+Mg
diff --git a/Ref/Inputs_G1/N.xyz b/Ref/Inputs_G1/N.xyz
new file mode 100644
index 0000000..738dbeb
--- /dev/null
+++ b/Ref/Inputs_G1/N.xyz
@@ -0,0 +1,2 @@
+0,4
+N
diff --git a/Ref/Inputs_G1/N2.xyz b/Ref/Inputs_G1/N2.xyz
new file mode 100644
index 0000000..f51758e
--- /dev/null
+++ b/Ref/Inputs_G1/N2.xyz
@@ -0,0 +1,5 @@
+0,1
+N
+N,1,NN
+
+NN=1.0987918
diff --git a/Ref/Inputs_G1/N2H4 b/Ref/Inputs_G1/N2H4
new file mode 100644
index 0000000..598292d
--- /dev/null
+++ b/Ref/Inputs_G1/N2H4
@@ -0,0 +1,15 @@
+0,1
+N
+N,1,AA
+H,1,AH4,2,H4AA
+H,1,AH5,2,H5AA,3,H4AH5,1
+H,2,AH4,1,H4AA,3,H4AAH7,0
+H,2,AH5,1,H5AA,5,H4AH5,1
+
+AA=1.43687706
+AH4=1.01893091
+AH5=1.01495037
+H4AA=111.61361711
+H5AA=106.79854321
+H4AH5=106.64730213
+H4AAH7=27.6651151
diff --git a/Ref/Inputs_G1/N2H4.xyz b/Ref/Inputs_G1/N2H4.xyz
new file mode 100644
index 0000000..598292d
--- /dev/null
+++ b/Ref/Inputs_G1/N2H4.xyz
@@ -0,0 +1,15 @@
+0,1
+N
+N,1,AA
+H,1,AH4,2,H4AA
+H,1,AH5,2,H5AA,3,H4AH5,1
+H,2,AH4,1,H4AA,3,H4AAH7,0
+H,2,AH5,1,H5AA,5,H4AH5,1
+
+AA=1.43687706
+AH4=1.01893091
+AH5=1.01495037
+H4AA=111.61361711
+H5AA=106.79854321
+H4AH5=106.64730213
+H4AAH7=27.6651151
diff --git a/Ref/Inputs_G1/NH.xyz b/Ref/Inputs_G1/NH.xyz
new file mode 100644
index 0000000..d2f8a7c
--- /dev/null
+++ b/Ref/Inputs_G1/NH.xyz
@@ -0,0 +1,5 @@
+0,3
+N
+H,1,RNH
+
+RNH=1.0447328
diff --git a/Ref/Inputs_G1/NH2.xyz b/Ref/Inputs_G1/NH2.xyz
new file mode 100644
index 0000000..58da34c
--- /dev/null
+++ b/Ref/Inputs_G1/NH2.xyz
@@ -0,0 +1,7 @@
+0,2
+N
+H,1,RBH
+H,1,RBH,2,HBH
+
+RBH=1.03128471
+HBH=101.91770685
diff --git a/Ref/Inputs_G1/NH3.xyz b/Ref/Inputs_G1/NH3.xyz
new file mode 100644
index 0000000..783f042
--- /dev/null
+++ b/Ref/Inputs_G1/NH3.xyz
@@ -0,0 +1,9 @@
+0,1
+N
+X,1,1.
+H,1,RNH,2,XNH
+H,1,RNH,2,XNH,3,120.,0
+H,1,RNH,2,XNH,3,240.,0
+
+RNH=1.01719433
+XNH=113.26166981
diff --git a/Ref/Inputs_G1/NO.xyz b/Ref/Inputs_G1/NO.xyz
new file mode 100644
index 0000000..1f86f39
--- /dev/null
+++ b/Ref/Inputs_G1/NO.xyz
@@ -0,0 +1,5 @@
+0,2
+N
+O,1,r
+
+r=1.15122729
diff --git a/Ref/Inputs_G1/Na.xyz b/Ref/Inputs_G1/Na.xyz
new file mode 100644
index 0000000..5da4012
--- /dev/null
+++ b/Ref/Inputs_G1/Na.xyz
@@ -0,0 +1,2 @@
+0,2
+Na
diff --git a/Ref/Inputs_G1/Na2.xyz b/Ref/Inputs_G1/Na2.xyz
new file mode 100644
index 0000000..ff75052
--- /dev/null
+++ b/Ref/Inputs_G1/Na2.xyz
@@ -0,0 +1,5 @@
+0,1
+Na
+Na,1,R
+
+R=3.0149584
diff --git a/Ref/Inputs_G1/NaCl.xyz b/Ref/Inputs_G1/NaCl.xyz
new file mode 100644
index 0000000..e2798f9
--- /dev/null
+++ b/Ref/Inputs_G1/NaCl.xyz
@@ -0,0 +1,5 @@
+0,1
+Na
+Cl,1,NaCl
+
+NaCl=2.3607642
diff --git a/Ref/Inputs_G1/O.xyz b/Ref/Inputs_G1/O.xyz
new file mode 100644
index 0000000..3386c80
--- /dev/null
+++ b/Ref/Inputs_G1/O.xyz
@@ -0,0 +1,2 @@
+0,3
+O
diff --git a/Ref/Inputs_G1/O2.xyz b/Ref/Inputs_G1/O2.xyz
new file mode 100644
index 0000000..bb98a4e
--- /dev/null
+++ b/Ref/Inputs_G1/O2.xyz
@@ -0,0 +1,5 @@
+0,3
+O
+O,1,r
+
+r=1.20639068
diff --git a/Ref/Inputs_G1/OH.xyz b/Ref/Inputs_G1/OH.xyz
new file mode 100644
index 0000000..76ec52a
--- /dev/null
+++ b/Ref/Inputs_G1/OH.xyz
@@ -0,0 +1,5 @@
+0,2
+O
+H,1,ROH
+
+ROH=0.97613331
diff --git a/Ref/Inputs_G1/P.xyz b/Ref/Inputs_G1/P.xyz
new file mode 100644
index 0000000..cf585a3
--- /dev/null
+++ b/Ref/Inputs_G1/P.xyz
@@ -0,0 +1,2 @@
+0,4
+P
diff --git a/Ref/Inputs_G1/P2.xyz b/Ref/Inputs_G1/P2.xyz
new file mode 100644
index 0000000..c26204e
--- /dev/null
+++ b/Ref/Inputs_G1/P2.xyz
@@ -0,0 +1,5 @@
+0,1
+P
+P,1,PP
+
+PP=1.8953162
diff --git a/Ref/Inputs_G1/PH2.xyz b/Ref/Inputs_G1/PH2.xyz
new file mode 100644
index 0000000..0275b1f
--- /dev/null
+++ b/Ref/Inputs_G1/PH2.xyz
@@ -0,0 +1,8 @@
+0,2
+P
+X,1,1.
+H,1,R,2,A
+H,1,R,2,A,3,180.,0
+
+R=1.42692167
+A=45.79311753
diff --git a/Ref/Inputs_G1/PH3.xyz b/Ref/Inputs_G1/PH3.xyz
new file mode 100644
index 0000000..20b547a
--- /dev/null
+++ b/Ref/Inputs_G1/PH3.xyz
@@ -0,0 +1,9 @@
+0,1
+P
+X,1,1.
+H,1,R,2,BETA
+H,1,R,2,BETA,3,120.,0
+H,1,R,2,BETA,3,-120.,0
+
+R=1.42205572
+BETA=122.9486097
diff --git a/Ref/Inputs_G1/S.xyz b/Ref/Inputs_G1/S.xyz
new file mode 100644
index 0000000..e217193
--- /dev/null
+++ b/Ref/Inputs_G1/S.xyz
@@ -0,0 +1,2 @@
+0,3
+S
diff --git a/Ref/Inputs_G1/S2.xyz b/Ref/Inputs_G1/S2.xyz
new file mode 100644
index 0000000..308489a
--- /dev/null
+++ b/Ref/Inputs_G1/S2.xyz
@@ -0,0 +1,5 @@
+0,3
+S
+S,1,R
+
+R=1.91215538
diff --git a/Ref/Inputs_G1/SO.xyz b/Ref/Inputs_G1/SO.xyz
new file mode 100644
index 0000000..a33a9f8
--- /dev/null
+++ b/Ref/Inputs_G1/SO.xyz
@@ -0,0 +1,5 @@
+0,3
+O
+S,1,OS
+
+OS=1.49681906
diff --git a/Ref/Inputs_G1/SO2.xyz b/Ref/Inputs_G1/SO2.xyz
new file mode 100644
index 0000000..871d47f
--- /dev/null
+++ b/Ref/Inputs_G1/SO2.xyz
@@ -0,0 +1,7 @@
+0,1
+S
+O,1,SO
+O,1,SO,2,OSO
+
+SO=1.44255426
+OSO=119.22404594
diff --git a/Ref/Inputs_G1/Si.xyz b/Ref/Inputs_G1/Si.xyz
new file mode 100644
index 0000000..b3efce4
--- /dev/null
+++ b/Ref/Inputs_G1/Si.xyz
@@ -0,0 +1,2 @@
+0,3
+Si
diff --git a/Ref/Inputs_G1/Si2.xyz b/Ref/Inputs_G1/Si2.xyz
new file mode 100644
index 0000000..dda436d
--- /dev/null
+++ b/Ref/Inputs_G1/Si2.xyz
@@ -0,0 +1,5 @@
+0,3
+Si
+Si,1,R
+
+R=2.27042797
diff --git a/Ref/Inputs_G1/Si2H6.xyz b/Ref/Inputs_G1/Si2H6.xyz
new file mode 100644
index 0000000..274aac7
--- /dev/null
+++ b/Ref/Inputs_G1/Si2H6.xyz
@@ -0,0 +1,13 @@
+0,1
+Si
+Si,1,R
+H,1,SIH,2,SICC
+H,1,SIH,2,SICC,3,120.,0
+H,1,SIH,2,SICC,3,-120.,0
+H,2,SIH,1,SICC,3,180.,0
+H,2,SIH,1,SICC,6,120.,0
+H,2,SIH,1,SICC,6,-120.,0
+
+SICC=110.49912192
+SIH=1.48548901
+R=2.35421744
diff --git a/Ref/Inputs_G1/SiH2_1A1.xyz b/Ref/Inputs_G1/SiH2_1A1.xyz
new file mode 100644
index 0000000..28709e2
--- /dev/null
+++ b/Ref/Inputs_G1/SiH2_1A1.xyz
@@ -0,0 +1,8 @@
+0,1
+Si
+X,1,1.
+H,1,R,2,A
+H,1,R,2,A,3,180.,0
+
+R=1.52561661
+A=45.67372696
diff --git a/Ref/Inputs_G1/SiH2_3B1.xyz b/Ref/Inputs_G1/SiH2_3B1.xyz
new file mode 100644
index 0000000..f168c72
--- /dev/null
+++ b/Ref/Inputs_G1/SiH2_3B1.xyz
@@ -0,0 +1,8 @@
+0,3
+Si
+X,1,1.
+H,1,R,2,A
+H,1,R,2,A,3,180.,0
+
+R=1.48656291
+A=59.20730743
diff --git a/Ref/Inputs_G1/SiH3.xyz b/Ref/Inputs_G1/SiH3.xyz
new file mode 100644
index 0000000..a723889
--- /dev/null
+++ b/Ref/Inputs_G1/SiH3.xyz
@@ -0,0 +1,9 @@
+0,2
+Si
+X,1,1.
+H,1,R,2,BETA
+H,1,R,2,BETA,3,120.,0
+H,1,R,2,BETA,3,-120.,0
+
+R=1.48480778
+BETA=107.89090342
diff --git a/Ref/Inputs_G1/SiH4.xyz b/Ref/Inputs_G1/SiH4.xyz
new file mode 100644
index 0000000..709b96c
--- /dev/null
+++ b/Ref/Inputs_G1/SiH4.xyz
@@ -0,0 +1,8 @@
+0,1
+Si
+H,1,R
+H,1,R,2,109.47122063
+H,1,R,2,109.47122063,3,120.,0
+H,1,R,2,109.47122063,3,-120.,0
+
+R=1.48241986
diff --git a/Ref/Inputs_G1/SiO.xyz b/Ref/Inputs_G1/SiO.xyz
new file mode 100644
index 0000000..a8d5aab
--- /dev/null
+++ b/Ref/Inputs_G1/SiO.xyz
@@ -0,0 +1,5 @@
+0,1
+Si
+O,1,sio
+
+sio=1.51282579
diff --git a/Ref/Inputs_G1/atomization_energies b/Ref/Inputs_G1/atomization_energies
new file mode 100644
index 0000000..d16d086
--- /dev/null
+++ b/Ref/Inputs_G1/atomization_energies
@@ -0,0 +1,56 @@
+            val                full 
+BeH         212.50             212.50         
+C2H2        1685.16            1695.79
+C2H4        2348.65            2358.75
+C2H6        2971.49            2981.64  
+CH          350.91             351.60         
+CH2_1A1     755.71             757.45
+CH2_3B1     793.88             797.23
+CH3         1282.77            1287.21
+CH3Cl       1650.66            1656.17
+CH4         1752.56            1757.82
+CN          753.39             758.56
+CO          1083.14            1087.57
+CO2         1625.87            1633.95
+CS          715.40             719.47
+Cl2         247.16             248.22
+ClF         261.80             262.43
+ClO         270.00             271.20
+F2          162.15             162.31
+H2CO        1561.51            1567.43
+H2O         973.05             974.94
+H2O2        1124.05            1126.34
+H2S         766.92             768.72                                    
+H3COH       2141.49            2147.84                                  
+H3CSH       4016.15            4038.49                                  
+HCN         1303.41            1310.97                                   
+HCO         1164.33            1169.59                                   
+HCl         448.52             449.58                                    
+HF          592.09             593.02                                   
+HOCl        693.67             695.38                                   
+Li2         101.24             101.24                                    
+LiF         583.12             583.99                                    
+LiH         242.27             242.27                                    
+N2          951.59             955.82                                  
+N2H4        1827.15            1832.69                                  
+NH          346.38             347.02                                   
+NH2         761.30             762.95                                    
+NH3         1242.94            1245.99                                   
+NO          636.75             639.28                                  
+Na2         71.55              71.78                                     
+NaCl        411.98             412.96                                  
+O2          504.36             505.88                                  
+OH          447.50             448.30                                   
+P2          485.14             489.29                                   
+PH2         644.21             645.47                                    
+PH3         1010.33            1012.24                                   
+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                                  
diff --git a/Ref/Inputs_G1/create_ezfio_from_g09_xyz.sh b/Ref/Inputs_G1/create_ezfio_from_g09_xyz.sh
new file mode 100755
index 0000000..a09198d
--- /dev/null
+++ b/Ref/Inputs_G1/create_ezfio_from_g09_xyz.sh
@@ -0,0 +1,12 @@
+source ~/.bashrc
+ . ~/qp2/quantum_package.rc
+
+basis=$1
+
+for i in *.xyz
+ do
+  comand=`qp_create_ezfio_from_g09_zmat $i $1`
+  echo $comand 
+  eval $comand
+done
+
diff --git a/Ref/Inputs_G1/list_atoms b/Ref/Inputs_G1/list_atoms
new file mode 100644
index 0000000..98c2e8b
--- /dev/null
+++ b/Ref/Inputs_G1/list_atoms
@@ -0,0 +1,17 @@
+list_atom="
+Al   
+Be   
+B   
+Cl   
+C   
+F   
+H   
+Li   
+Mg   
+Na   
+N   
+O   
+P   
+Si   
+S 
+"
diff --git a/Ref/Inputs_G1/list_molecules b/Ref/Inputs_G1/list_molecules
new file mode 100644
index 0000000..ddf74ae
--- /dev/null
+++ b/Ref/Inputs_G1/list_molecules
@@ -0,0 +1,57 @@
+list_mol="
+BeH       
+C2H2      
+C2H4      
+C2H6      
+CH        
+CH2_1A1   
+CH2_3B1   
+CH3       
+CH3Cl     
+CH4       
+CN        
+CO        
+CO2       
+CS        
+Cl2       
+ClF       
+ClO       
+F2        
+H2CO      
+H2O       
+H2O2      
+H2S       
+H3COH     
+H3CSH     
+HCN       
+HCO       
+HCl       
+HF        
+HOCl      
+Li2       
+LiF       
+LiH       
+N2        
+N2H4      
+NH        
+NH2       
+NH3       
+NO        
+Na2       
+NaCl      
+O2        
+OH        
+P2        
+PH2       
+PH3       
+S2        
+SO        
+SO2       
+Si2       
+Si2H6     
+SiH2_1A1  
+SiH2_3B1  
+SiH3      
+SiH4      
+SiO       
+"
diff --git a/Ref/Inputs_G1/qp_create_ezfio_from_g09_zmat b/Ref/Inputs_G1/qp_create_ezfio_from_g09_zmat
new file mode 100755
index 0000000..02c0579
--- /dev/null
+++ b/Ref/Inputs_G1/qp_create_ezfio_from_g09_zmat
@@ -0,0 +1,91 @@
+#!/usr/bin/env python2
+"""
+convert zmatrix and input for spin multiplicity and charge from the SI of 
+J. Chem. Phys. 131, 154112 (2009); https://doi.org/10.1063/1.3247288
+
+into a zmatrix usable by the QP, and spits the correct command to execute
+Usage:
+    qp_create_ezfio_from_g09_zmat g09_zmat basis 
+
+Produces the ezfio folder g09_zmat.ezfio 
+
+"""
+
+import sys
+import os
+import subprocess
+
+
+try:
+    import qp_path
+except ImportError:
+    print "source .quantum_package.rc"
+    raise
+try:
+    QP_ROOT = os.environ["QP_ROOT"]
+    QP_EZFIO = os.environ["QP_EZFIO"]
+except KeyError:
+    print "Error: QP_ROOT environment variable not found."
+    sys.exit(1)
+else:
+    sys.path = [QP_EZFIO + "/Python",
+                QP_ROOT + "/install/resultsFile",
+                QP_ROOT + "/install",
+                QP_ROOT + "/scripts"] + sys.path
+
+
+
+def findall(sub, string):
+    """
+    >>> text = "Allowed Hello Hollow"
+    >>> tuple(findall('ll', text))
+    (1, 10, 16)
+    """
+    index = 0 - len(sub)
+    try:
+        while True:
+            index = string.index(sub, index + len(sub))
+            yield index
+    except ValueError:
+        pass
+
+filepath = sys.argv[1]
+basis = sys.argv[2]
+icount = 0
+zmat = []
+with open(filepath, "r") as fp:
+   cipsi = []
+   for line in fp:
+     if (icount == 0 ):
+      a=line.split(',')
+      charge = int(a[0])
+      spin = int(a[1])
+     else: 
+      a=line.split()
+      if(len(a)>0):
+       n=a[0].count(',')
+       if(n > 6):
+        listfind=list(findall(',', a[0]))
+        char=a[0]
+        a[0]=char[0:listfind[n-1]]
+
+       b=a[0].replace(',', ' ')
+       b=b.replace('=', ' ')
+       zmat.append(b)
+      else:
+       b=" " 
+       zmat.append(b)
+
+     icount += 1
+
+c = filepath.split('.')
+file_origin = c[0]
+ezfio = file_origin+".ezfio"
+zmat_file = file_origin+".zmt"
+file_zmat = open(zmat_file,"w+")
+for l in zmat:
+  file_zmat.write(l +'\n')
+
+command="qp_create_ezfio -m %s -c %s -b %s -o %s  %s" % (spin,charge,basis,ezfio,zmat_file)
+print command
+#os.system(command)
diff --git a/Ref/Inputs_G1/script_G2_VD.sh b/Ref/Inputs_G1/script_G2_VD.sh
new file mode 100644
index 0000000..7e90b51
--- /dev/null
+++ b/Ref/Inputs_G1/script_G2_VD.sh
@@ -0,0 +1,56 @@
+#!/bin/bash 
+
+# jobname: 
+#SBATCH -J D
+
+# initial working directory: 
+#SBATCH -D ./
+
+# standard output and error: 
+#SBATCH -o ./test.out.%j
+#SBATCH -e ./test.err.%j
+
+# queue or partition:
+#SBATCH --partition=p.48h
+
+# Number of nodes and cores: 
+#SBATCH --nodes=1
+#SBATCH --ntasks=1
+#SBATCH --tasks-per-node=1 
+#SBATCH --cpus-per-task=40
+
+# mail: 
+#SBATCH --mail-type=end,fail
+#SBATCH --mail-user=e.giner@fkf.mpg.de
+
+# wall clock limit: 
+#SBATCH --time=47:58:00
+
+# run the program:
+
+module purge
+source ~/.bashrc
+ . ~/qp2/quantum_package.rc
+
+#export OMP_NUM_THREADS=1
+
+export OMP_NUM_THREADS=40 # 40 coeurs
+export OMP_PROC_BIND=false
+
+############################################################################
+
+
+for i in *ezfio
+ do
+  ezfio=$i
+
+  qp_run scf         $ezfio | tee ${ezfio}.scf_1.out
+  qp_set_frozen_core ${ezfio}
+  qp_run cis         $ezfio | tee ${ezfio}.cis.out
+  qp_run save_natorb $ezfio | tee ${ezfio}.natorb.out
+  qp_run scf $ezfio | tee ${ezfio}.scf_1.out
+  qp_run scf         $ezfio | tee ${ezfio}.scf_2.out
+  qp_run all_mu_of_r_corrections ${ezfio} | tee ${ezfio}.DFT.out
+
+done
+
diff --git a/Ref/Inputs_G1/test b/Ref/Inputs_G1/test
new file mode 100644
index 0000000..6dd6efd
--- /dev/null
+++ b/Ref/Inputs_G1/test
@@ -0,0 +1,16 @@
+ o
+ o    1 oo
+ h    1 ho         2 hoo
+ h    2 ho         1 hoo          3 dih
+
+oo          1.475
+ho          0.95
+hoo         94.8
+dih        119.8
+
+0,1
+O
+C,1,RCO
+ 
+RCO=1.1309114     
+