Ethylen calculation with GAMESS

From: Ralf Oestereich <oesterei ^at^ hrz.ba-freiberg.de>
Subject: Ethylen calculation with GAMESS
Date: Mon, 25 Apr 94 10:20:49 MESZ

 Concerning GAMESS (US-Version 92)...
 We have the following problem (and dont laugh! :-) ):
 We want to minimize energy of the ethylen molecule to
 get firm with the programm, so we must create a z-Matrix, but ...
 We are not able to create a z-Matrix for Ethylen!
 What GAMESS do is, that it creates the z
 z-axis in the C-H bond, if
 we have the following $DATA Group:
 $DATA
 X
 C 1 rCX
 H 2 rCH aXCH
 rCX=0.67
 rCH=1.06
 aXCH=120
  $END
 It wont even work without the Dummy!
 If you have any idea, please mail us!
 at:    oesterei ^at^ orion.hrz.ba-freiberg.de