From GOVENDEM@che.und.ac.za Mon Jun 17 16:32:59 1993 Message-Id: To: Chemistry@ccl.net From: GOVENDEM@che.und.ac.za Date: 17 Jun 93 14:32:59 +0200 (SAST) Subject: re: g92 MULTIPLICITY=2 PROBLEM. Hi; S O S S O S S O S. I'm not very sure if this is a correct forum. I will pose the quetion anyway. I tried frequency jobs with Nitric Oxide (multiplicity=2). The theoretical value is 3915 wavenumbers, this is about twice experimental one. PROBLEM 1 The other systems with multiplicity=1 do not pose such a problem. With Nitrogen dioxide also multiplicity=2, the calculation on frequencies just won't proceed, i.e crashes by exceeding normal 65 cycles. PROBLEM 2 Now the question is this? Has anyone out there, encountered these problems on Gaussian 92 in Unix system? Please help. Thanks in advance; TM Tshehla. TAKING A BOY TO COLLEGE MAKES HIS LIFE MISERABLE !!!