From owner-chemistry@ccl.net Fri Jul 3 02:09:00 2015 From: "Vinayak Bhat vinayakbhat13]~[iisertvm.ac.in" To: CCL Subject: CCL:G: Optimization of multimers Message-Id: <-51505-150703015822-22648-jhJc+tC82OEBIUhHGhY2iQ(-)server.ccl.net> X-Original-From: "Vinayak Bhat" Date: Fri, 3 Jul 2015 01:58:21 -0400 Sent to CCL by: "Vinayak Bhat" [vinayakbhat13---iisertvm.ac.in] Can anyone suggest me a method to optimize the mutimers(dimer,trimers...) in Gaussian09. I have been using the crystal structure data for inputting the structures. The optimized multimers appear a lot deviated form the crystal structure data. I wish to study the effects of aggregation or stacking with monomer as the reference in several organic materials.