From JWANG@ac.dal.ca Sat Mar 18 21:29:47 1995 Received: from SYSWRK.UCIS.Dal.Ca for JWANG@ac.dal.ca by www.ccl.net (8.6.10/930601.1506) id VAA04871; Sat, 18 Mar 1995 21:29:45 -0500 From: Received: from AC.Dal.Ca by SYSWRK.UCIS.DAL.CA (PMDF V4.3-13 #6307) id <01HOAQ1UV2RK0012UG@SYSWRK.UCIS.DAL.CA>; Sat, 18 Mar 1995 22:29:34 -0400 Received: from AC.DAL.CA by AC.DAL.CA (PMDF V4.3-13 #2545) id <01HOAQ07FV7400HGND@AC.DAL.CA>; Sat, 18 Mar 1995 22:29:25 -0400 Date: Sat, 18 Mar 1995 22:29:25 -0400 Subject: Q: Converting the internal coordinates to the normal coordinates To: chemistry@ccl.net Message-id: <01HOAQ07ITAA00HGND@AC.DAL.CA> Dear Netters, I am looking for a code to calculate the matrix which converts the internal coordinates to the normal mode coordinates. I can get the force constant matrix with respect to the internal coordinates, but I need a code to calculate the G matrix, which is necessary for the diagonization of the FG matrix. From there I will be able to obtain the transformation matrix. Thanks in advance. Jian Wang