From owner-chemistry- at -ccl.net Wed Mar 10 00:32:01 2010 From: "Prasenjit SEAL prasenjit.seal|,|crm2.uhp-nancy.fr" To: CCL Subject: CCL:G: Isotope Message-Id: <-41407-100309125920-28148-8P6nObCXv/bTxqoOoS+H7g:-:server.ccl.net> X-Original-From: Prasenjit SEAL Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Tue, 09 Mar 2010 18:59:05 +0100 MIME-Version: 1.0 Sent to CCL by: Prasenjit SEAL [prasenjit.seal##crm2.uhp-nancy.fr] Hi CCL subscribers, Can anybody tell me which software can perform optimization of isotopes? I want to perform a geometry optimization of D2 and HD molecules. If it is Gaussian or MOLPRO, then how I should proceed? Thanks in advance. Cheers, PS