Subject: Freqchk

From: [email-masked]
Date: Mon, 25 Jun 2001 11:43:50 -0700 (MST)

Dear All,

	I'm trying to perform some freq calculations of an adsorbed species on a copper
complex and want to set the mass of the copper to a large mass (say 1000).  When
I employ the freqchk command and try to set the value of the copper atom to 1000
I get an error saying that the only known masses for the copper are 62 and 64. 
How do I get G98 to calculate the frequencies so that the copper is 1000?  

Also I want to view the frequencies of the new "frozen" species using MOLEKEL. 
How do I import the data of the "frozen" frequencies into MOLEKEl so I can view
them?  Thank you in advance for any suggestions. 	

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Benjamin J. Moritz				Work: 480-965-8509
College of Engineering and Applied Sciences	Mailto:[email-masked]
Dept. of Chemical & Materials Engineering
PO Box 876006
Tempe, AZ
85287-6006
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