From 79c18f2ab0e55880c47f7342ca191216b21a6245 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Tue, 26 Mar 2019 16:07:00 +0100 Subject: [PATCH] updated Input_G1 --- Ref/Inputs_G1/CH3SH.xyz | 17 ----------------- Ref/Inputs_G1/CH4O.xyz | 17 ----------------- 2 files changed, 34 deletions(-) delete mode 100644 Ref/Inputs_G1/CH3SH.xyz delete mode 100644 Ref/Inputs_G1/CH4O.xyz diff --git a/Ref/Inputs_G1/CH3SH.xyz b/Ref/Inputs_G1/CH3SH.xyz deleted file mode 100644 index 65caa4b..0000000 --- a/Ref/Inputs_G1/CH3SH.xyz +++ /dev/null @@ -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 diff --git a/Ref/Inputs_G1/CH4O.xyz b/Ref/Inputs_G1/CH4O.xyz deleted file mode 100644 index f43b194..0000000 --- a/Ref/Inputs_G1/CH4O.xyz +++ /dev/null @@ -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