Subject: About charge analysis in Gaussian98

From: t218gy <[email-masked]>
Date: Fri, 22 Mar 2002 10:58:49 +0800

Dear Sir,

When I use the Guassian98 to do the charge analysis,the program need the radii of the Fe atom. I don't know how to input the the radii of Fe atom. My input line is belows:

#P HF/STO-3G SCFCON=5 SCFCYC=300 EXTRABASIS POP=(MK,READRADII) IOP(6/33=2)

Thanks in advance.

Yi Gao
Nanjing Univ. P.R.China

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