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Date: Thu, 04 May 2006 16:47:23 -0400
From: "Vasiliy S. Znamenskiy" <znamensk@sci.ccny.cuny.edu>
Subject: [NWCHEM] Analog of Gaussian's key-words: B3LYP/6-311++G**  SCF=Tight
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Hi:

1) What kind of set of key-words in NWChem is closest 
analog of following key-words in Gaussian03 ?

#P B3LYP/6-311++G**  SCF=Tight 

Criterion is equivalence of energies.

2) Is in NWCHEM some options for generating electrostatic 
potential-derived charges according to the 
Mertz-Singh-Kollman scheme?  As POP=MK in Gaussian.

Thank you,
Vasiliy