Running ab initio calculations on molecules with lone pairs in HyperChem 8.0

[opuktun]

1. Is it possible to run an ab initio calculation on molecules with lone pair?
I keep getting "basis file does not contain any definitons for element with atomic number 0"

2. Is there a way to show coordination bonding in hyperchem?

Thanks.

 

[GCT]

Never heard of this software , is it similar to SPARC?

 

[opuktun]

I don't know. I have never used SPARC before.

Hyperchem's a modeling software, with official website here: http://www.hyper.com/

Any gurus around? :(

 

[GCT]

Gokul is on the inorganic side , he may know of this software , we have physical chemists here however it seems that they haven't been around ; also check out the CHEM E forums or one of the advanced physics forums.