Subject: Bond order calculation in G94

From: [email-masked] (Hajime Takashima)
Date: Tue, 2 Jun 1998 19:51:52 +0900

Dear all,

I am trying to execute the RHF calculation of a molecule 
(basis=365) in G94. I want to calculate the bond order and 
used the keyword AIM=BondOrders. But the following error 
message appeared.

 FATAL ERROR: DUPLICATE CRITICAL POINTS FOUND:   44  15
 Error termination via Lnk1e in /usr/appli/g94/l609.exe.
 
I would be glad to receive your suggestions.

Sincerely,

Hajime Takashima
 
Molecular Science Lab.
Medicinal Research Laboratories
Taisho Pharmaceutical Co., Ltd.
E-mail  [email-masked]