From chemistry-request- at -server.ccl.net Sat May 3 22:26:44 2003 Received: from localhost.localdomain ([162.105.153.224]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id h442QhV14868 for ; Sat, 3 May 2003 22:26:44 -0400 Received: from localhost.localdomain (lab [127.0.0.1]) by localhost.localdomain (8.12.8/8.12.8) with ESMTP id h442ST7x023155 for ; Sun, 4 May 2003 10:28:29 +0800 Received: (from nichloas ^%at%^ localhost) by localhost.localdomain (8.12.8/8.12.8/Submit) id h442SSov023153 for chemistry&$at$&ccl.net; Sun, 4 May 2003 10:28:28 +0800 Date: Sun, 4 May 2003 10:28:28 +0800 From: Li Daobing To: chemistry #at# ccl.net Subject: What's the expression of D5 shell and F shell? Message-ID: <20030504022828.GA23140 ^%at%^ lab> Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Disposition: inline User-Agent: Mutt/1.4.1i Hello, As I know, 6-31G basis set use D6 shell and 6-311G use D5 shell. I know the expression of D6 shell: Dxy = N * exp(-ar^2) * x * y; etc. But I don't know the expressions of D5 shell or F shell, Who can tell me the expressions or where can I find them? Regards, Li Daobing