PTEROSOR/sfBSE
10
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

cbutadiene_square

Browse Source
This commit is contained in:
EnzoMonino 2020-12-09 08:31:57 +01:00
parent 6da385d2b7
commit 31259c7c5d
3 changed files with 10 additions and 20 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
output/cbutadiene/cbutadiene.xyz
View File

@ -1,10 +0,0 @@
C -0.82021 1.29573 -1.72332
C 0.37984 0.46351 -1.63817
C -1.13952 0.96288 -0.47631
C 0.06045 0.13069 -0.39109
H -1.28260 1.92908 -2.47237
H -1.96108 1.21924 0.18325
H 1.20268 0.20539 -2.29562
H 0.52113 -0.50209 0.35924

10
output/cbutadiene/cbutadiene_square.xyz Normal file
View File

@ -0,0 +1,10 @@
8
C 0.000000 0.000000 0.000000
C 0.000000 0.000000 1.439000
C 1.439000 0.000000 1.439000
C 1.439000 0.000000 0.000000
H -0.758726 0.000000 -0.758726
H 2.197726 0.000000 2.197726
H 2.197726 0.000000 -0.758726
H -0.758726 0.000000 2.197726

10
output/new_cbutadiene.com
View File

@ -1,10 +0,0 @@
C -0.863419240944 1.327351915194 -1.730164934796
C 0.425059066778 0.433771357798 -1.638677349498
C -1.184891649743 0.992329515359 -0.474917513331
C 0.103595143151 0.098758993702 -0.383425162937
H -1.304156594978 1.951276137982 -2.490484645087
H -1.992374896064 1.234065032841 0.196761007944
H 1.232532701373 0.192041592107 -2.310369131142
H 0.544345470427 -0.525164544983 0.376887728848