From chemistry-request #at# ccl.net Fri Aug 14 13:43:43 1992 Date: 14 Aug 92 10:12 LCL From: PA13808%UTKVM1.BITNET:~at~:OHSTVMA.ACS.OHIO-STATE.EDU To: CHEMISTRY-: at :-ccl.net Subject: BITNET mail follows Status: R G88 DIPLE MOMENTS THE PRAGMETIC VIEW OF A NOVICE The facetious answer is to get a G90 or G92 . A more pract possibility i is to exm the ARchiv output. This gives the dipole moment in atomic units and if it is different from the SCF value it represents the correlated value. The same goes for other properties to. Not also the principal axes could be different and you may have to transform if there are off diag elements. Maybe an expert knows other ways. JEB(pa13808 at UTKVM1) --- Administrivia: This message is automatically appended by the mail exploder. CHEMISTRY%!at!%ccl.net --- everybody; CHEMISTRY-REQUEST%!at!%ccl.net --- coordinator only OSCPOST(+ at +)ccl.net : send something from chemistry; FTP: www.ccl.net ---