Re: Demo version


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Posted by Valera Veryazov on February 16, 2005 at 16:45:56:

In Reply to: Demo version posted by Valerij Gurin on February 16, 2005 at 15:09:57:

Demo version has very strict limitations, but still you can calculate HCl molecule.


Irreducible representation : a1
Basis function(s) of irrep: z

Basis Label Type Center Phase
1 CL 1s 1 1
2 CL 1s 1 1
3 CL 1s 1 1
4 CL 1s 1 1
5 CL 2pz 1 1
6 CL 2pz 1 1
7 CL 2pz 1 1

so you have 4s and 3p basis functions on Cl.



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