updated Input_G1

Ref/Inputs_G1/CH3SH.xyz

@@ -1,17 +0,0 @@
-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

Ref/Inputs_G1/CH4O.xyz

@@ -1,17 +0,0 @@
-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