From b_duke ^at^ lacebark.ntu.edu.au Fri Mar 17 21:23:58 1995 Received: from lacebark.ntu.edu.au for b_duke -x- at -x- lacebark.ntu.edu.au by www.ccl.net (8.6.10/930601.1506) id UAA23997; Fri, 17 Mar 1995 20:45:58 -0500 From: Received: by lacebark.ntu.edu.au (AIX 3.2/UCB 5.64/4.03) id AA07973; Sat, 18 Mar 1995 10:06:48 +1000 Message-Id: <9503180006.AA07973 # - at - # lacebark.ntu.edu.au> Subject: NBO in G92 To: CHEMISTRY*- at -*ccl.net (chemistry) Date: Sat, 18 Mar 1995 10:06:47 +1000 (EET) X-Mailer: ELM [version 2.4 PL21] Content-Type: text Content-Length: 704 Hi folks, One can use the NBO package in G92 by putting pop=nbo in the command line. I want to give NBO the RESONANCE keyword. Does anyone know how this is done? It was suggested to me that one could put $NBO RESONANCE $END at the end of the data. It does not work. Does anyone have any ideas? Thanks for any help. I will summarise any useful responses. Cheers, Brian. -- NOTE - Change of School name and University address from 1/1/95. Associate Professor Brian Salter-Duke (Brian Duke) School of Mathematical and Physical Sciences, Northern Territory University, Darwin, NT 0909, Australia. Phone 089-466702 e-mail: b_duke(+ at +)lacebark.ntu.edu.au or b_duke(+ at +)uncl04.ntu.edu.au