diff --git a/output/new_cbutadiene.com b/output/new_cbutadiene.com new file mode 100644 index 0000000..5ed410c --- /dev/null +++ b/output/new_cbutadiene.com @@ -0,0 +1,10 @@ + + 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 +