From L338%SUEARN2.BITNET /at\mps.ohio-state.edu Mon Apr 25 17:32:44 1994 Received: from ohstpw.mps.ohio-state.edu for L338%SUEARN2.BITNET %-% at %-% mps.ohio-state.edu by www.ccl.net (8.6.4/930601.1506) id QAA28389; Mon, 25 Apr 1994 16:55:05 -0400 From: Received: from SUEARN2.BITNET (MAILER "-at-" SUEARN2) by MPS.OHIO-STATE.EDU (PMDF V4.2-14 #5888) id <01HBLL24QRAO8WWL50 $#at#$ MPS.OHIO-STATE.EDU>; Mon, 25 Apr 1994 16:55:00 EDT Date: Mon, 25 Apr 94 22:44 MSK Subject: Re:Ethylen calculation with GAMESS To: CHEMISTRY ^%at%^ ccl.net Message-id: <01HBLL24R0YA8WWL50[ AT ]MPS.OHIO-STATE.EDU> Content-transfer-encoding: 7BIT > We are not able tlo create a z-Matrix for Ethylen. That is possible preparation of your data: 1. Write 'COORD=ZMT' keyword in $CONTR group. 2. Give full z-Matrix ( all atoms, not only symmetry unique ) in your $DATA group.