Subject: archive entries in g94 output

From: Marek Strajbl <[email-masked]>
Date: Wed, 16 Oct 1996 10:59:44 -0700

Dear CCL members,
 
 I can't make out for which orientation are archive entries (such as
 force constants, dipole derivatives, ...) in g94 output valid. In fact,
 the orientation that I got in archive does match neither z-matrix nor 
 standard orientation. I have troubles when trying to use these data 
 (tetrahydrofuran : #blyp/6-31g*/opt/freq) as input for programs performing
 vibrational analysis. I encoutered these difficulties especially for
 DFT methods, HF seems to work weell. Any hints or comments?
 
 Best regards, Marek
 
 -- 
 Marek Strajbl
 Institute of Physics		phone:  (+422) 2191-1343
 Ke Karlovu 5, Praha 2 		fax:    (+422) 29 67 64
 121 16, CZ