ethylidene GAMESS SBK ECP structure 1.000 1.000 1.000 90.000 90.000 90.000 -0.1224836478 -0.0143013867 -0.0031438582 W 1.7598905184 0.2090110124 0.0622690898 C 2.2131432359 0.5681959099 -0.8812581429 H 2.7460104456 -0.0243227432 1.1967462609 C 3.4834988786 -0.7583112326 0.8560855652 H 3.2643880274 0.9199150212 1.3920770386 H 2.2626727379 -0.3776708285 2.1056607342 H -0.0146269089 -2.3458160587 -0.7313031406 CL -0.6128836191 2.2637604118 0.7369581361 CL -0.8533796496 -0.7707608847 2.0710544884 CL -0.8095526098 0.5775749968 -2.1418532936 CL